⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL585351 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL29160770 | 0.67 | TSHR (0.50) | — | |
| SCHEMBL11044982 | 0.60 | CA1 (0.31) | — | |
| Methane SCHEMBL2888075 | 0.60 | — | — | |
| SCHEMBL28498707 | 0.58 | ALDH1A1 (0.33) | — | |
| SCHEMBL219138 | 0.58 | — | — | |
| SCHEMBL29930009 | 0.56 | — | — | |
| SCHEMBL16454 | 0.56 | — | — | |
| SCHEMBL27457813 | 0.56 | ALDH1A1 (0.44) | — | |
| Ammonia Solution, Strong SCHEMBL28218758 | 0.56 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1667989-A4 | SUBSTITUTED ISOQUINOLINONES | PORTOLA PHARM INC (US) | 2008-08-20 | — | — | EP | disclosed |
| US-7294635-B2 | Substituted isoquinolinones | PORTOLA PHARMACEUTICALS, INC. (US) | 2007-11-13 | — | — | US | disclosed |
| EP-1667989-A1 | SUBSTITUTED ISOQUINOLINONES | Portola Pharmaceuticals, Inc. (US) | 2006-06-14 | — | — | EP | disclosed |
| US-20050113399-A1 | Substituted isoquinolinones | PORTOLA PHARMACEUTICALS, INC. (US) | 2005-05-26 | — | — | US | disclosed |
| WO-2005035520-A1 | SUBSTITUTED ISOQUINOLINONES | PORTOLA PHARMACEUTICALS, INC. (US) | 2005-04-21 | — | — | WO | disclosed |