⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15919039 | 0.89 | — | — | |
| SCHEMBL1611790 | 0.71 | CA1 (0.30) | — | |
| SCHEMBL10220644 | 0.67 | — | — | |
| SCHEMBL10220328 | 0.65 | NOS1 (0.44) | — | |
| SCHEMBL14866996 | 0.65 | PTGS2 (0.33) | — | |
| SCHEMBL10220845 | 0.64 | ALDH1A1 (0.30) | — | |
| SCHEMBL14866995 | 0.64 | — | — | |
| SCHEMBL15935285 | 0.64 | — | — | |
| SCHEMBL21720474 | 0.63 | NPC1 (0.30) | — | |
| SCHEMBL10227008 | 0.63 | CNR1 (0.32) | — |
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 4 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-20140213538-A1 | LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS | INTERMUNE, INC. | 2014-07-31 | — | — | US | disclosed |
| US-20140200215-A1 | LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS | INTERMUNE, INC. | 2014-07-17 | — | — | US | disclosed |
| US-20130072449-A1 | LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS | INTERMUNE, INC. (US) | 2013-03-21 | — | — | US | disclosed |