⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6890381 | 0.69 | — | — | |
| SCHEMBL1025859 | 0.65 | — | — | |
| SCHEMBL2685546 | 0.64 | — | — | |
| SCHEMBL11088 | 0.59 | — | — | |
| Hydrochloric Acid SCHEMBL366688 | 0.59 | PNMT (0.95) | — | |
| SCHEMBL581897 | 0.58 | CES1 (0.34) | — | |
| Hydrochloric Acid SCHEMBL5317536 | 0.58 | PNMT (0.91) | — | |
| SCHEMBL4300042 | 0.58 | — | — | |
| Hydrochloric Acid SCHEMBL1427992 | 0.58 | PNMT (0.69) | — | |
| SCHEMBL31021243 | 0.58 | PNMT (0.42) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0666260-B1 | 3-(2-aminoethyl)-4-3-(trifluoromethyl)benzoyl-3,4-dihydro-2H-1,4-benzoxazine derivatives, their preparation and use in therapy | SYNTHELABO (FR) | 1999-08-04 | — | — | EP | claimed |
| US-5550125-A | BRAIN DISORDERS | SYNTHELABO (FR) | 1996-08-27 | — | — | US | claimed |
| US-5550125-A | BRAIN DISORDERS | SYNTHELABO (FR) | 1996-08-27 | — | — | US | disclosed |
| US-5550125-A | BRAIN DISORDERS | SYNTHELABO (FR) | 1996-08-27 | — | — | US | disclosed |
| EP-0666260-A1 | 3-(2-aminoethyl)-4-3-(trifluoromethyl)benzoyl-3,4-dihydro-2H-1,4-benzoxazine derivatives, their preparation and use in therapy | SYNTHELABO (FR) | 1995-08-09 | — | — | EP | disclosed |