⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2288994 | 0.85 | — | — | |
| SCHEMBL27775235 | 0.77 | — | — | |
| SCHEMBL2290862 | 0.77 | — | — | |
| SCHEMBL2291601 | 0.75 | POLB (0.34) | — | |
| SCHEMBL2289059 | 0.73 | — | — | |
| SCHEMBL2286303 | 0.69 | — | — | |
| SCHEMBL2286037 | 0.69 | — | — | |
| SCHEMBL4050934 | 0.69 | — | — | |
| SCHEMBL8572007 | 0.67 | — | — | |
| SCHEMBL320975 | 0.67 | — | — |
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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| US-4073783-A | PENICILLINS | PFIZER INC. (US) | 1978-02-14 | — | — | US | claimed |
| CN-112513020-B | KDM1A inhibitors for the treatment of diseases | 伊美格生物科学公司 | 2024-02-23 | — | — | CN | disclosed |
| CN-110505874-A | Molecule and relative intermediate, composition and method with desinsection effectiveness | DOW AGROSCIENCES LLC | 2019-11-26 | — | — | CN | disclosed |
| EP-2927218-B1 | TETRAZOLINONE COMPOUND AND USE THEREOF | SUMITOMO CHEMICAL CO (JP) | 2018-07-04 | — | — | EP | disclosed |
| CN-107935894-A | A kind of more sulfydryl substituted aryl compounds and preparation method | 东丽先端材料研究开发（中国）有限公司 | 2018-04-20 | — | — | CN | disclosed |
| US-9725423-B2 | Tetrazolinone compound and applications thereof | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2017-08-08 | — | — | US | disclosed |
| CN-104822666-B | Terazololine-one compound and application thereof | 住友化学株式会社 | 2016-09-21 | — | — | CN | disclosed |
| US-20150299146-A1 | TETRAZOLINONE COMPOUND AND APPLICATIONS THEREOF | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2015-10-22 | — | — | US | disclosed |
| 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 | disclosed |
| US-4698333-A | Use of substituted malonic acid derivatives as agents for combating pests | BAYER AKTIENGESELLSCHAFT (DE) | 1987-10-06 | — | — | US | disclosed |
| EP-0118833-B1 | SUBSTITUTED DIAMIDES OF PHENYLHYDROXY-THIOMALONIC ACIDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PESTICIDES | BAYER AG (DE) | 1986-04-02 | — | — | EP | disclosed |
| US-4562185-A | INSECTICIDES; MITICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1985-12-31 | — | — | US | disclosed |
| US-4556649-A | Substituted malonic acid diamide insecticides, compositions and use | BAYER AKTIENGESELLSCHAFT (DE) | 1985-12-03 | — | — | US | disclosed |
| EP-0148499-A2 | Substituted derivatives of malonic acid, process for their preparation and their use as pesticides | BAYER AG (DE) | 1985-07-17 | — | — | EP | disclosed |
| EP-0126235-A1 | Five-membered nitrogen-containing heterocycles, process for their preparation and their use as pesticides | BAYER AG (DE) | 1984-11-28 | — | — | EP | disclosed |
| EP-0108351-A2 | Use of substituted malonic-acid derivatives as pesticides | BAYER AG (DE) | 1984-05-16 | — | — | EP | disclosed |