⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5361253 | 1.00 | — | — | |
| SCHEMBL8974765 | 0.76 | CYP3A4 (0.34) | — | |
| SCHEMBL8038010 | 0.71 | CYP3A4 (0.31) | — | |
| SCHEMBL8525893 | 0.70 | CYP3A4 (0.33) | — | |
| SCHEMBL10971061 | 0.67 | TSHR (0.40) | — | |
| SCHEMBL8530933 | 0.66 | CYP3A4 (0.33) | — | |
| SCHEMBL5826055 | 0.65 | CES2 (0.33) | — | |
| SCHEMBL7057611 | 0.64 | TSHR (0.46) | — | |
| SCHEMBL30409600 | 0.63 | CYP3A4 (0.33) | — | |
| SCHEMBL8975115 | 0.63 | CYP3A4 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114656327-A | Synthesis method of 2, 4-dichloro-3-dichloromethyl-5-fluorotrichloromethyl benzene | 营口兴福化工有限公司 | 2022-06-24 | — | — | CN | claimed |
| CN-114656327-A | Synthesis method of 2, 4-dichloro-3-dichloromethyl-5-fluorotrichloromethyl benzene | 营口兴福化工有限公司 | 2022-06-24 | — | — | CN | disclosed |
| CN-114656327-A | Synthesis method of 2, 4-dichloro-3-dichloromethyl-5-fluorotrichloromethyl benzene | 营口兴福化工有限公司 | 2022-06-24 | — | — | CN | disclosed |
| CN-114656327-A | Synthesis method of 2, 4-dichloro-3-dichloromethyl-5-fluorotrichloromethyl benzene | 营口兴福化工有限公司 | 2022-06-24 | — | — | CN | disclosed |