⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2755205 | 0.72 | — | — | |
| SCHEMBL672133 | 0.67 | — | — | |
| SCHEMBL1894420 | 0.67 | — | — | |
| SCHEMBL1896095 | 0.67 | — | — | |
| SCHEMBL23421 | 0.67 | — | — | |
| SCHEMBL6462836 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL27295969 | 0.64 | — | — | |
| SCHEMBL3109426 | 0.64 | — | — | |
| SCHEMBL713658 | 0.62 | — | — | |
| SCHEMBL23409285 | 0.61 | — | — |
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-8975235-B2 | Lysophosphatidic acid receptor antagonists | INTERMUNE, INC. (US) | 2015-03-10 | — | — | US | disclosed |
| US-8501804-B2 | Bicyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-08-06 | — | — | US | disclosed |
| US-20130072449-A1 | LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS | INTERMUNE, INC. (US) | 2013-03-21 | — | — | US | disclosed |
| US-20120010247-A1 | BICYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-01-12 | — | — | US | disclosed |
| US-20120004240-A1 | INHIBITORS OF AKT ACTIVITY | MERCK SHARP & DOHME LLC | 2012-01-05 | — | — | US | disclosed |
| US-20110294796-A1 | BENZOTRIAZINE INHIBITORS OF KINASES | TARGEGEN, INC. (US) | 2011-12-01 | — | — | US | disclosed |