⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11800103 | 0.99 | — | — | |
| SCHEMBL11866145 | 0.91 | UGCG (0.30) | — | |
| SCHEMBL11874761 | 0.88 | CNR1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL11741394 | 0.87 | — | — | |
| SCHEMBL11862587 | 0.86 | CNR2 (0.36) | — | |
| Hydrochloric Acid SCHEMBL11794392 | 0.86 | CNR1 (0.31) | — | |
| SCHEMBL11859076 | 0.85 | CNR1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL11862255 | 0.84 | CNR1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL11742783 | 0.84 | CNR1 (0.33) | — | |
| SCHEMBL11797540 | 0.82 | CNR2 (0.41) | — |
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-3960871-A | ANTIDEPRESSANT, ANALGESICS, ANTICONVULSANT ANTI-ANXIETY ACTIVITY | SHARPS ASSOCIATES (US) | 1976-06-01 | — | — | US | claimed |