⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2290807 | 0.85 | — | — | |
| SCHEMBL2291564 | 0.81 | — | — | |
| SCHEMBL2288283 | 0.81 | — | — | |
| SCHEMBL22685464 | 0.77 | LMNA (0.36) | — | |
| SCHEMBL2289162 | 0.77 | GAA (0.34) | — | |
| SCHEMBL2288256 | 0.77 | GRIN2D (0.31) | — | |
| SCHEMBL2283654 | 0.75 | HSD11B1 (0.31) | — | |
| SCHEMBL441450 | 0.73 | — | — | |
| SCHEMBL14471559 | 0.72 | CASR (0.33) | — | |
| SCHEMBL96258 | 0.72 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 174 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109287647-A | A kind of herbicide and preparation method thereof containing halosulfuronmethyl | 安徽圣丰生化有限公司 | 2019-02-01 | — | — | CN | claimed |
| CN-104262087-B | The preparation method of the chloro-4-tolyl acid of a kind of 3,5-bis- | XIN'AN NUOYA (BEIJING) CHEMICAL ENGINEERING TECHNOLOGY CO., LTD. (CN) | 2015-12-30 | — | — | CN | claimed |
| CN-104262087-A | Preparation method of 3,5-dichloro-4-methylbenzoic acid | XIN AN NUOYA BEIJING CHEMICAL TECHNOLOGY CO LTD | 2015-01-07 | — | — | CN | claimed |
| EP-1587795-B1 | N- (1-BENZYL-2-OXO-2- (1-PIPERAZINYL) ETHYL) -1-PIPERIDINCARBOXAMID-DERIVATIVES AND RELATED COMPOUNDS USE AS CGRP-ANTAGONISTS FOR TREATING A HEADACHE | BOEHRINGER INGELHEIM INT (DE) | 2009-05-13 | — | — | EP | claimed |
| EP-1587795-A1 | N- (1-BENZYL-2-OXO-2- (1-PIPERAZINYL) ETHYL) -1-PIPERIDINCARBOXAMID-DERIVATIVES AND RELATED COMPOUNDS USE AS CGRP-ANTAGONISTS FOR TREATING A HEADACHE | Boehringer Ingelheim International GmbH (DE) | 2005-10-26 | — | — | EP | claimed |
| US-20040192729-A1 | Carboxylic acids and the esters thereof, pharmaceutical compositions thereto and processes for the preparation thereof | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2004-09-30 | — | — | US | claimed |
| WO-2004063171-A1 | N- (1-BENZYL-2-OXO-2- (1-PIPERAZINYL) ETHYL) -1-PIPERIDINCARBOXAMID-DERIVATIVES AND RELATED COMPOUNDS USE AS CGRP-ANTAGONISTS FOR TREATING A HEADACHE | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2004-07-29 | — | — | WO | claimed |
| EP-0952143-B1 | Metal salt catalyzed process to oxazolines and subsequent formation of chloroketones | DOW AGROSCIENCES LLC (US) | 2003-01-22 | — | — | EP | claimed |
| US-6147220-A | Process to 5-methyleneoxazolines | ROHM AND HAAS COMPANY (US) | 2000-11-14 | — | — | US | claimed |
| US-6057477-A | CYCLIZING AN ALKYNYL AMIDE IN SOLVENT AND CATALYTIC SOLVENT TO FORM METHYLENEOXAZOLINE, CHLORINATION, CYCLIZATION AND HYDROLYSIS | ROHM AND HAAS COMPANY (US) | 2000-05-02 | — | — | US | claimed |
| EP-0952143-A1 | Metal salt catalyzed process to oxazolines and subsequent formation of chloroketones | ROHM AND HAAS COMPANY (US) | 1999-10-27 | — | — | EP | claimed |
| US-5959114-A | CYCLIZING AN ALKYNYLAMIDO USING AN ACID | ROHM AND HAAS COMPANY (US) | 1999-09-28 | — | — | US | claimed |
| US-5942621-A | CYCLIZING AN ALKYNYL AMIDE USING A MILD AQUEOUS BASE IN THE PRESENCE OF AN ORGANIC SOLVENT AND PHASE TRANSFER AGENT TO YIELD A 5-METHYLENEOXAZOLINE CHEMICAL INTERMEDIATE TO COST EFFICIENT ALPHA-CHLOROKETONE FUNGICIDE PRODUCTION | ROHM AND HAAS COMPANY (US) | 1999-08-24 | — | — | US | claimed |
| US-5936096-A | TRICHLOROISOCYANURIC ACID USED AS SELECTIVE CHLORINATION REAGENT IN THE CHLORINATION OF A 5-METHYLENEOXAZOLINE TO A CHLORINATED INTERMEDIATE WHICH CAN BY HYROLYZED WITH AN AQUEOUS ACID TO PRODUCE MONOCHLOROKETONE FUNGICIDES | ROHM AND HAAS COMPANY (US) | 1999-08-10 | — | — | US | claimed |
| US-5925763-A | MULTISTAGE PROCESS WITH CYCLIZATION OF AN ALKYNYL AMIDE TO FORM METHYLENEOXAZOLINE, CHLORINATION USING TRICHLOROISOCYANURIC ACID TO PRODUCE DICHLOROXAZOLINE INTERMEDIATES AND HYDROLYSIS | ROHM AND HAAS COMPANY (US) | 1999-07-20 | — | — | US | claimed |
| US-5922916-A | CYCLIZATION OF AN ALKYNYL AMINE WITH CARBON DIOXIDE IN PRESENCE OF A COPPER CATALYST OR BY FORMING ISOCYANATE FROM ACETOACETAMIDE, FOLLOWED BY HYDROLYSIS; CHEMICAL INTERMEDIATE FOR FUNGICIDES | ROHM AND HAAS COMPANY (US) | 1999-07-13 | — | — | US | claimed |
| US-5859254-A | CYCLIZING ALKYNYLAMIDE USING AQUEOUS BASE IN PRESENCE OF ORGANIC SOLVENT AND PHASE TRANSFER AGENT, CHLORINATING PRODUCT IN SOLVENT WITH TRICHLOROISOCYANURIC ACID, HYDROLYZING CHLORINATED OXAZOLINE WITH AQUEOUS ACID | ROHM AND HAAS COMPANY (US) | 1999-01-12 | — | — | US | claimed |
| EP-0879819-A1 | Process for the preparation of 5-methylene oxazolines | ROHM AND HAAS COMPANY (US) | 1998-11-25 | — | — | EP | claimed |
| EP-0872474-A2 | Process for the preparation of chloroketones using oxazolines | ROHM AND HAAS COMPANY (US) | 1998-10-21 | — | — | EP | claimed |
| EP-0872473-A2 | Process for the preparation of chloroketoamines using carbamates | ROHM AND HAAS COMPANY (US) | 1998-10-21 | — | — | EP | claimed |