⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL905101 | 0.70 | — | — | |
| SCHEMBL1400093 | 0.69 | LIPE (0.31) | — | |
| SCHEMBL1400145 | 0.64 | KDM4E (0.34) | — | |
| SCHEMBL4308727 | 0.63 | — | — | |
| SCHEMBL15896858 | 0.62 | KDM4E (0.31) | — | |
| SCHEMBL22891220 | 0.61 | CTRC (0.32) | — | |
| SCHEMBL10044026 | 0.61 | ATAD2 (0.36) | — | |
| SCHEMBL471973 | 0.61 | CTRC (0.32) | — | |
| SCHEMBL22016882 | 0.59 | KDM5A (0.35) | — | |
| SCHEMBL102100 | 0.59 | — | — |
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 |