⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15902149 | 0.71 | PLCG1 (0.30) | — | |
| SCHEMBL4787144 | 0.69 | MAPT (0.50) | — | |
| SCHEMBL124177 | 0.69 | MAPT (0.50) | — | |
| SCHEMBL15902439 | 0.67 | — | — | |
| SCHEMBL367140 | 0.65 | MAPT (0.64) | — | |
| SCHEMBL9027945 | 0.62 | MAOA (0.52) | — | |
| SCHEMBL1097748 | 0.61 | AHR (0.53) | — | |
| SCHEMBL157089 | 0.61 | IDO1 (0.40) | — | |
| SCHEMBL910409 | 0.60 | NPC1 (0.55) | — | |
| SCHEMBL750326 | 0.60 | PDK2 (0.55) | — |
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 |