⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6014116 | 0.84 | TRIM24 (0.50) | — | |
| SCHEMBL22160330 | 0.75 | — | — | |
| SCHEMBL8655214 | 0.73 | — | — | |
| SCHEMBL254079 | 0.71 | — | — | |
| SCHEMBL12482338 | 0.69 | TRIM24 (0.38) | — | |
| SCHEMBL21653978 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL4127228 | 0.69 | AR (0.42) | — | |
| SCHEMBL6736550 | 0.67 | KMT2A (0.43) | — | |
| SCHEMBL3547671 | 0.67 | ATM (0.46) | — | |
| SCHEMBL17821042 | 0.67 | TRIM24 (0.50) | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2254873-B1 | BENZODIAZEPINE COMPOUND AND PHARMACEUTICAL COMPOSITION | OTSUKA PHARMA CO LTD (JP) | 2014-06-04 | — | — | EP | disclosed |
| US-8110709-B2 | Stabilization of hydroformylation catalysts based on phosphoramide ligands | BASF SE (DE) | 2012-02-07 | — | — | US | disclosed |
| US-20050256159-A1 | 1,4-disubstituted piperidine derivatives and their use as 11,betahsd1 inhibitors | ASTRAZENECA AB (SE) | 2005-11-17 | — | — | US | disclosed |
| EP-1556349-A1 | 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS | Astrazeneca AB (SE) | 2005-07-27 | — | — | EP | disclosed |
| WO-2004033427-A1 | 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS | ASTRAZENECA AB (SE) | 2004-04-22 | — | — | WO | disclosed |
| EP-0011279-B1 | PROCESS FOR THE PREPARATION OF AROMATICALLY SUBSTITUTED ACETIC ACIDS | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1982-05-05 | — | — | EP | disclosed |
| US-4268442-A | REACTING AN AROMATIC ALKEHYDE WITH A TRIHALOMETHANE AND AN ALKANETHIOL IN THE PRESENCE OF A BASE AND AN APROTIC SOLVENT | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1981-05-19 | — | — | US | disclosed |
| EP-0011279-A1 | Process for the preparation of aromatically substituted acetic acids | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1980-05-28 | — | — | EP | disclosed |
| US-4145354-A | Process for preparing 5-acyl-2-(furfurylthio)dihydro-2,5-dialkyl-3- 2H!furanones | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1979-03-20 | — | — | US | disclosed |
| US-4143173-A | Flavoring with 5-acyl-2-(furfurylthio)dihydro-2,5-dialkyl-3-[2H]furanones | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1979-03-06 | — | — | US | disclosed |
| US-4138413-A | DIMERIZING AN A,B-DIKETONE, SULFIDING | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1979-02-06 | — | — | US | disclosed |
| US-4126708-A | FLAVORING WITH 2-ACYL-5-SUBSTITUTED THIATETRAHYDROFURAN-4-ONES | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1978-11-21 | — | — | US | disclosed |
| US-4096158-A | Process for preparing 5-acyl-2-(furfurylthio)dihydro-2,5-dialkyl-3-[2H]furanones | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1978-06-20 | — | — | US | disclosed |
| US-4092333-A | 2-Acyl-5-substituted thiatetrahydrofuran-4-ones | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1978-05-30 | — | — | US | disclosed |
| US-4092334-A | ORGANOLEPTIC PROPERTIES, FLAVOR OR AROMA MODIFIERS FOR FOOD, TOBACCO PRODUCTS, CHEWING GUM AND MEDICINALS | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1978-05-30 | — | — | US | disclosed |