⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11800261 | 0.78 | — | — | |
| SCHEMBL11800266 | 0.78 | — | — | |
| SCHEMBL2490306 | 0.78 | — | — | |
| SCHEMBL348696 | 0.78 | — | — | |
| SCHEMBL24661206 | 0.76 | — | — | |
| SCHEMBL28514153 | 0.76 | — | — | |
| SCHEMBL28510242 | 0.76 | — | — | |
| SCHEMBL22694710 | 0.74 | — | — | |
| SCHEMBL6655197 | 0.72 | KMT2A (0.68) | — | |
| SCHEMBL28506864 | 0.72 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1930137-B | Benzothiazepine and benzoazepine compounds | ASAHI KASEI PHARMA CORP | 2011-07-20 | — | — | CN | disclosed |
| CN-100494185-C | Novel quaternary ammonium compounds | ASAHI KASEI PHARMA CORP (JP) | 2009-06-03 | — | — | CN | disclosed |