⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1990577 | 1.00 | — | — | |
| SCHEMBL1990574 | 1.00 | — | — | |
| SCHEMBL1991599 | 0.89 | — | — | |
| SCHEMBL1991596 | 0.89 | — | — | |
| SCHEMBL1992691 | 0.86 | — | — | |
| SCHEMBL1992693 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL1992363 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL1992361 | 0.85 | — | — | |
| SCHEMBL29537138 | 0.85 | — | — | |
| SCHEMBL1990640 | 0.85 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3187490-B1 | SUBSTITUTED BENZAMIDE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2022-04-06 | — | — | EP | claimed |
| US-20220280527-A1 | TRACE AMINE ASSOCIATED RECEPTOR 1 AGONISTS AND PARTIAL AGONISTS FOR PAIN TREATMENT | PURDUE PHARMA L.P. (US) | 2022-09-08 | — | — | US | disclosed |