⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL796518 | 0.79 | — | — | |
| SCHEMBL23181490 | 0.76 | MAPK1 (0.30) | — | |
| SCHEMBL18392176 | 0.75 | — | — | |
| SCHEMBL10830318 | 0.75 | — | — | |
| SCHEMBL11545142 | 0.71 | — | — | |
| SCHEMBL12242403 | 0.71 | NPC1 (0.32) | — | |
| SCHEMBL21064210 | 0.71 | — | — | |
| SCHEMBL5720491 | 0.70 | — | — | |
| SCHEMBL29027393 | 0.70 | DAO (0.33) | — | |
| SCHEMBL25275719 | 0.70 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0550444-A1 | SUBSTITUTED NAPHTHOXAZINES USEFUL AS DOPAMINERGICS | WHITBY RESEARCH, Inc. (US) | 1993-07-14 | — | — | EP | claimed |
| EP-0550444-A4 | SUBSTITUTED NAPHTHOXAZINES USEFUL AS DOPAMINERGICS. | WHITBY RES INC (US) | 1993-03-03 | — | — | EP | claimed |
| WO-1991019719-A1 | SUBSTITUTED NAPHTHOXAZINES USEFUL AS DOPAMINERGICS | WHITBY RESEARCH, INC. (US) | 1991-12-26 | — | — | WO | claimed |