⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL166345 | 0.97 | — | — | |
| Ammonia Solution, Strong SCHEMBL29104715 | 0.94 | — | — | |
| SCHEMBL11385081 | 0.92 | KMT2A (0.46) | — | |
| Chloromethane SCHEMBL18979918 | 0.92 | — | — | |
| SCHEMBL28123428 | 0.90 | KMT2A (0.43) | — | |
| SCHEMBL27396842 | 0.90 | KMT2A (0.43) | — | |
| Nitrous Acid SCHEMBL4825101 | 0.90 | KMT2A (0.43) | — | |
| SCHEMBL34065 | 0.89 | — | — | |
| SCHEMBL552425 | 0.86 | KMT2A (0.46) | — | |
| SCHEMBL9220001 | 0.86 | KMT2A (0.46) | — |
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-0250265-B1 | 2-PHENYLBENZOXEPIN DERIVATIVE | SUNTORY LIMITED (JP) | 1990-09-05 | — | — | EP | disclosed |
| US-4845094-A | HYPOGLYCEMIC, ANTICOAGULANT | SUNTORY LIMITED (JP) | 1989-07-04 | — | — | US | disclosed |
| EP-0250265-A1 | 2-Phenylbenzoxepin derivative | SUNTORY LIMITED (JP) | 1987-12-23 | — | — | EP | disclosed |