⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL295737 | 0.91 | — | — | |
| Alcohol SCHEMBL27806709 | 0.89 | — | — | |
| Ammonia Solution, Strong SCHEMBL28114708 | 0.88 | — | — | |
| Nitrous Acid SCHEMBL4825101 | 0.84 | KMT2A (0.43) | — | |
| Nitrous Acid SCHEMBL607882 | 0.82 | KMT2A (0.42) | — | |
| SCHEMBL11385081 | 0.81 | KMT2A (0.46) | — | |
| SCHEMBL11321566 | 0.77 | DGKA (0.45) | — | |
| SCHEMBL9304758 | 0.76 | — | — | |
| SCHEMBL166345 | 0.74 | — | — | |
| SCHEMBL10367143 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113166004-A | Method for preparing 5-bromo-1, 3-dichloro-2-fluorobenzene | 巴斯夫欧洲公司 | 2021-07-23 | — | — | CN | disclosed |