⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1365456 | 0.85 | TK1 (0.30) | — | |
| SCHEMBL8947910 | 0.83 | RAB9A (0.33) | — | |
| SCHEMBL8947911 | 0.83 | RAB9A (0.33) | — | |
| SCHEMBL11709167 | 0.71 | GRM2 (0.32) | — | |
| SCHEMBL18156566 | 0.70 | TBXA2R (0.39) | — | |
| SCHEMBL1366222 | 0.66 | RAB9A (0.55) | — | |
| SCHEMBL4533210 | 0.66 | RAB9A (0.55) | — | |
| SCHEMBL24225469 | 0.66 | FDFT1 (0.40) | — | |
| SCHEMBL1367132 | 0.64 | PTGFR (0.38) | — | |
| SCHEMBL12640069 | 0.64 | PTGFR (0.38) | — |
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-5486540-A | Cyclopentane heptanoic or heptenoic acid, 2-arylalkyl or arylalkenyl and derivatives as therapeutic agents | ALLERGAN, INC. (US) | 1996-01-23 | — | — | US | disclosed |