⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27989729 | 0.97 | TSHR (0.50) | — | |
| SCHEMBL29679751 | 0.97 | — | — | |
| SCHEMBL162167 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL10643312 | 0.94 | — | — | |
| SCHEMBL7263412 | 0.94 | — | — | |
| Water SCHEMBL28038801 | 0.94 | — | — | |
| SCHEMBL5570115 | 0.94 | — | — | |
| SCHEMBL7741309 | 0.94 | — | — | |
| Phosphine SCHEMBL27769130 | 0.94 | — | — | |
| Benzene SCHEMBL27706746 | 0.94 | TSHR (0.53) | — |
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-109761864-A | A kind of 3- methyl -4-(4- trifluoromethylthio) phenoxy group-nitrobenzene preparation method | 严学文 | 2019-05-17 | — | — | CN | disclosed |