⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7463447 | 0.83 | HSD17B10 (0.41) | — | |
| SCHEMBL7465311 | 0.76 | HSD17B10 (0.31) | — | |
| SCHEMBL7472405 | 0.75 | PARP1 (0.45) | — | |
| SCHEMBL7468810 | 0.75 | BRD4 (0.38) | — | |
| SCHEMBL7470575 | 0.75 | USP2 (0.45) | — | |
| SCHEMBL4967477 | 0.74 | BRD4 (0.41) | — | |
| SCHEMBL4971251 | 0.74 | BRD4 (0.41) | — | |
| SCHEMBL4970185 | 0.74 | BRD4 (0.41) | — | |
| SCHEMBL7468474 | 0.74 | BRD4 (0.35) | — | |
| SCHEMBL7472656 | 0.74 | USP2 (0.33) | — |
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-0869949-B1 | BENZOXAZINE ANTIMICROBIAL AGENTS | ORTHO MCNEIL PHARM INC (US) | 2002-12-18 | — | — | EP | disclosed |
| US-5854242-A | Benzoxazine antimicrobial agents | ORTHO PHARMACEUTICAL CORPORATION (US) | 1998-12-29 | — | — | US | disclosed |
| US-5696117-A | BACTERICIDE | ORTHO PHARMACEUTICAL CORPORATION (US) | 1997-12-09 | — | — | US | disclosed |