⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5945183 | 1.00 | — | — | |
| SCHEMBL16316615 | 0.94 | — | — | |
| SCHEMBL19094346 | 0.92 | — | — | |
| Tetrahydrofuran SCHEMBL21484246 | 0.91 | ALDH1A1 (0.50) | — | |
| SCHEMBL12227348 | 0.89 | ALDH1A1 (0.35) | — | |
| SCHEMBL11696421 | 0.89 | ALDH1A1 (0.42) | — | |
| SCHEMBL9437253 | 0.88 | ALDH1A1 (0.47) | — | |
| SCHEMBL12514 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL30684506 | 0.84 | — | — | |
| Methane SCHEMBL28332901 | 0.84 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9763922-B2 | Therapeutic compounds and uses thereof | GENENTECH, INC. (US) | 2017-09-19 | — | — | US | disclosed |
| US-20160158207-A1 | THERAPEUTIC COMPOUNDS AND USES THEREOF | GENENTECH, INC. (US) | 2016-06-09 | — | — | US | disclosed |
| US-20130196988-A1 | Dihydrothienopyrimidines | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-08-01 | — | — | US | disclosed |
| WO-2013020992-A1 | DIHYDROTHIENOPYRIMIDINES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-02-14 | — | — | WO | disclosed |
| US-8039480-B2 | Spirocyclic nitriles as protease inhibitors | SANOFI-AVENTIS (FR) | 2011-10-18 | — | — | US | disclosed |
| US-20090275523-A1 | Spirocyclic nitriles as protease inhibitors | SANOFI-AVENTIS (FR) | 2009-11-05 | — | — | US | disclosed |
| WO-2007137738-A1 | SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS | SANOFI-AVENTIS (DE) | 2007-12-06 | — | — | WO | disclosed |