⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15902213 | 0.79 | — | — | |
| SCHEMBL3813285 | 0.72 | MEN1 (0.34) | — | |
| SCHEMBL707763 | 0.68 | — | — | |
| SCHEMBL104221 | 0.67 | — | — | |
| SCHEMBL15902149 | 0.65 | PLCG1 (0.30) | — | |
| SCHEMBL3792101 | 0.65 | — | — | |
| SCHEMBL6415550 | 0.64 | — | — | |
| SCHEMBL104033 | 0.64 | MAPT (0.39) | — | |
| SCHEMBL7389674 | 0.64 | — | — | |
| SCHEMBL670334 | 0.63 | ALDH1A1 (0.49) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140213538-A1 | LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS | INTERMUNE, INC. | 2014-07-31 | — | — | US | disclosed |