⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9147376 | 0.76 | — | — | |
| SCHEMBL3401695 | 0.75 | — | — | |
| SCHEMBL15403780 | 0.72 | — | — | |
| SCHEMBL11970800 | 0.71 | — | — | |
| SCHEMBL9652811 | 0.68 | — | — | |
| SCHEMBL9652792 | 0.68 | — | — | |
| SCHEMBL4849853 | 0.68 | — | — | |
| SCHEMBL4760759 | 0.68 | — | — | |
| SCHEMBL6047431 | 0.68 | — | — | |
| SCHEMBL5026051 | 0.67 | PRSS1 (0.30) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150038460-A1 | 6,5-Heterocyclic Propargylic Alcohol Compounds and Uses Therefor | GENENTECH, INC. (US) | 2015-02-05 | — | — | US | disclosed |
| US-8901313-B2 | 6,5-heterocyclic propargylic alcohol compounds and uses therefor | GENENTECH, INC. (US) | 2014-12-02 | — | — | US | disclosed |
| EP-2686314-A1 | 6,5-HETEROCYCLIC PROPARGYLIC ALCOHOL COMPOUNDS AND USES THEREFOR | F.HOFFMANN-LA ROCHE AG (CH) | 2014-01-22 | — | — | EP | disclosed |
| US-8598154-B2 | Pyridyl-amine fused azadecalin modulators | CORCEPT THERAPEUTICS, INC. (US) | 2013-12-03 | — | — | US | disclosed |
| EP-2609097-A1 | PYRIDYL-AMINE FUSED AZADECALIN MODULATORS | Corcept Therapeutics, Inc. (US) | 2013-07-03 | — | — | EP | disclosed |
| WO-2012123522-A1 | 6,5-HETEROCYCLIC PROPARGYLIC ALCOHOL COMPOUNDS AND USES THEREFOR | F. HOFFMANN-LA ROCHE AG (CH) | 2012-09-20 | — | — | WO | disclosed |
| US-20120220565-A1 | PYRIDYL-AMINE FUSED AZADECALIN MODULATORS | CORCEPT THERAPEUTICS, INC. (US) | 2012-08-30 | — | — | US | disclosed |
| US-20120214762-A1 | 6,5-HETEROCYCLIC PROPARGYLIC ALCOHOL COMPOUNDS AND USES THEREFOR | GENENTECH, INC. (US) | 2012-08-23 | — | — | US | disclosed |
| WO-2012027702-A1 | PYRIDYL-AMINE FUSED AZADECALIN MODULATORS | CORCEPT THERAPEUTICS, INC. (US) | 2012-03-01 | — | — | WO | disclosed |