⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4723056 | 0.91 | LMNA (0.32) | — | |
| SCHEMBL4720181 | 0.89 | NTRK1 (0.32) | — | |
| SCHEMBL4721092 | 0.88 | WNT3A (0.30) | — | |
| SCHEMBL4719853 | 0.88 | — | — | |
| SCHEMBL4719495 | 0.88 | GSK3B (0.33) | — | |
| SCHEMBL4720065 | 0.87 | POLB (0.31) | — | |
| SCHEMBL4721894 | 0.87 | PTK2 (0.30) | — | |
| SCHEMBL4722031 | 0.86 | PTK2 (0.33) | — | |
| SCHEMBL4724170 | 0.86 | P2RX7 (0.32) | — | |
| SCHEMBL4719336 | 0.86 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1953147-A1 | HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF | Japan Tobacco, Inc. (JP) | 2008-08-06 | — | — | EP | disclosed |