⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2264746 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL10513395 | 0.98 | SLC6A4 (0.40) | — | |
| Hydrochloric Acid SCHEMBL10510752 | 0.96 | SLC6A4 (0.39) | — | |
| SCHEMBL20997961 | 0.83 | SLC6A4 (0.36) | — | |
| Dimethylamine SCHEMBL1976791 | 0.83 | SLC6A2 (0.44) | — | |
| SCHEMBL2263908 | 0.80 | SLC6A2 (0.42) | — | |
| SCHEMBL4457615 | 0.80 | SLC6A2 (0.39) | — | |
| SCHEMBL16919230 | 0.79 | — | — | |
| SCHEMBL12309473 | 0.79 | SLC6A4 (0.38) | — | |
| Hydrochloric Acid SCHEMBL10514623 | 0.79 | SLC6A2 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3858832-A1 | TRIFLUOROMETHYL-SUBSTITUTED SULFONAMIDE AS BCL-2-SELECTIVE INHIBITOR | Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) | 2021-08-04 | — | — | EP | disclosed |