⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10105741 | 0.78 | WDR91 (0.40) | — | |
| SCHEMBL3510479 | 0.72 | TAAR1 (0.38) | — | |
| SCHEMBL17316541 | 0.68 | — | — | |
| SCHEMBL3102116 | 0.67 | CACNA1H (0.31) | — | |
| SCHEMBL10105728 | 0.67 | HRH3 (0.41) | — | |
| SCHEMBL13364140 | 0.65 | — | — | |
| SCHEMBL16892417 | 0.64 | CACNA1H (0.30) | — | |
| SCHEMBL11958668 | 0.64 | — | — | |
| SCHEMBL16186302 | 0.64 | CYP2C19 (0.34) | — | |
| SCHEMBL13149887 | 0.64 | TSHR (0.36) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130196964-A1 | HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2013-08-01 | — | — | US | disclosed |
| US-20130172311-A1 | Substituted heterocyclyl benzyl pyrazoles, and use thereof | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2013-07-04 | — | — | US | disclosed |
| US-8470811-B2 | Substituted heterocyclylbenzylpyrazoles and use thereof | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2013-06-25 | — | — | US | disclosed |
| US-20120028950-A1 | Substituted heterocyclylbenzylpyrazoles and use thereof | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2012-02-02 | — | — | US | disclosed |
| US-20110312930-A1 | Aryl compounds with aminoalkyl substituents and their use | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2011-12-22 | — | — | US | disclosed |
| US-20110301122-A1 | HETEROAROMATIC COMPOUNDS FOR USE AS HIF INHIBITORS | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2011-12-08 | — | — | US | disclosed |