⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13839056 | 0.84 | CA1 (0.35) | — | |
| SCHEMBL12166378 | 0.70 | — | — | |
| SCHEMBL12962757 | 0.70 | — | — | |
| SCHEMBL12516146 | 0.70 | — | — | |
| SCHEMBL19190503 | 0.70 | — | — | |
| SCHEMBL13260502 | 0.67 | — | — | |
| SCHEMBL12069152 | 0.67 | — | — | |
| SCHEMBL10183405 | 0.67 | — | — | |
| SCHEMBL15083810 | 0.67 | — | — | |
| SCHEMBL13750101 | 0.67 | PTPN1 (0.44) | — |
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-2007092416-A2 | MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-08-16 | — | — | WO | disclosed |