⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11706837 | 0.88 | — | — | |
| SCHEMBL11627150 | 0.87 | CNR2 (0.51) | — | |
| Hydrochloric Acid SCHEMBL11630661 | 0.87 | — | — | |
| SCHEMBL11555391 | 0.86 | — | — | |
| SCHEMBL11558451 | 0.85 | — | — | |
| SCHEMBL11542167 | 0.84 | — | — | |
| SCHEMBL11639903 | 0.84 | — | — | |
| SCHEMBL11638362 | 0.83 | — | — | |
| SCHEMBL11717447 | 0.83 | CNR2 (0.49) | — | |
| SCHEMBL11541623 | 0.82 | — | — |
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-RE29196-E | ANALGESICS AND TRANQUILIZERS | ABBOTT LABORATORIES (US) | 1977-04-26 | — | — | US | claimed |
| US-4254116-A | ANALGESICS, ANTIDEPRESSANTS, NEUTRALIZING AGENTS | ABBOTT LABORATORIES (US) | 1981-03-03 | — | — | US | disclosed |