⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6270092 | 0.74 | — | — | |
| Bromide SCHEMBL5900297 | 0.72 | BCHE (0.42) | — | |
| Bromide SCHEMBL4258981 | 0.57 | KMT2A (0.38) | — | |
| SCHEMBL267796 | 0.52 | — | — | |
| SCHEMBL3052 | 0.48 | — | — | |
| SCHEMBL2151355 | 0.47 | — | — | |
| SCHEMBL12299444 | 0.43 | ALDH1A1 (0.36) | — | |
| SCHEMBL17935667 | 0.43 | ALDH1A1 (0.36) | — | |
| SCHEMBL25664590 | 0.43 | ALDH1A1 (0.36) | — | |
| SCHEMBL1078946 | 0.42 | ALDH1A1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4183741-A | POSTEMERGENCE | FISONS LIMITED (GB) | 1980-01-15 | — | — | US | disclosed |