⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12986137 | 0.88 | — | — | |
| SCHEMBL11960296 | 0.86 | — | — | |
| SCHEMBL11960299 | 0.75 | TRPV4 (0.31) | — | |
| SCHEMBL11960298 | 0.73 | AR (0.31) | — | |
| SCHEMBL23139047 | 0.73 | MAPK14 (0.31) | — | |
| SCHEMBL21937634 | 0.73 | GABRA1 (0.38) | — | |
| SCHEMBL10106762 | 0.72 | CA1 (0.44) | — | |
| SCHEMBL14380999 | 0.71 | EIF4A3 (0.36) | — | |
| SCHEMBL18882777 | 0.70 | LMNA (0.30) | — | |
| SCHEMBL21765276 | 0.69 | GABRA1 (0.35) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9309240-B2 | Pyrazolopyridine compounds, compositions and methods of use | GENENTECH, INC. (US) | 2016-04-12 | — | — | US | disclosed |
| US-20140171408-A1 | AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | GENENTECH, INC. (US) | 2014-06-19 | — | — | US | disclosed |
| US-20130252941-A1 | PYRAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | F. HOFFMANN-LA ROCHE AG (CH) | 2013-09-26 | — | — | US | disclosed |
| US-20120202788-A1 | AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | F. HOFFMANN-LA ROCHE AG (CH) | 2012-08-09 | — | — | US | disclosed |
| US-20120040975-A1 | BRIDGED BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF | MERCK SHARP & DOHME CORP. | 2012-02-16 | — | — | US | disclosed |