⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12909808 | 0.74 | — | — | |
| SCHEMBL8401073 | 0.74 | NOS3 (0.34) | — | |
| SCHEMBL17591748 | 0.73 | — | — | |
| SCHEMBL13844518 | 0.73 | — | — | |
| SCHEMBL17247514 | 0.73 | — | — | |
| SCHEMBL21100788 | 0.71 | GABRG2 (0.40) | — | |
| SCHEMBL11999056 | 0.70 | GABRA1 (0.41) | — | |
| SCHEMBL21100790 | 0.70 | GABRA1 (0.41) | — | |
| SCHEMBL19228468 | 0.70 | CYP11B1 (0.31) | — | |
| SCHEMBL327921 | 0.70 | HMGCR (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012078593-A2 | LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND USES THEREOF | AMIRA PHARMACEUTICALS, INC. (US) | 2012-06-14 | — | — | WO | disclosed |