⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL638706 | 1.00 | — | — | |
| SCHEMBL12987963 | 1.00 | — | — | |
| SCHEMBL12987958 | 1.00 | — | — | |
| SCHEMBL29160138 | 1.00 | — | — | |
| SCHEMBL30672799 | 1.00 | — | — | |
| SCHEMBL24958749 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL26638613 | 0.98 | GABRR1 (0.50) | — | |
| SCHEMBL9114459 | 0.81 | GABRR1 (0.43) | — | |
| SCHEMBL9114483 | 0.81 | GABRR1 (0.43) | — | |
| SCHEMBL38940 | 0.81 | GABRR1 (0.43) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6740649-B2 | ANTIINFLAMMATORY AGENTS; OSTEOPOROSIS | BRISTOL-MYERS SQUIBB COMPANY | 2004-05-25 | — | — | US | disclosed |
| US-20030139388-A1 | Cyclic hydroxamic acids as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) | BRISTOL-MYERS SQUIBB COMPANY (FORMERLY D/B/A DUPONT PHARMACEUTICALS COMPANY) | 2003-07-24 | — | — | US | disclosed |