⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL185653 | 1.00 | — | — | |
| Hydrazine SCHEMBL8554314 | 0.98 | SLC6A2 (0.38) | — | |
| Hydrochloric Acid SCHEMBL6025691 | 0.98 | SLC6A4 (0.39) | — | |
| Morpholine SCHEMBL5147043 | 0.92 | MEN1 (0.39) | — | |
| SCHEMBL72780 | 0.88 | SLC6A2 (0.37) | — | |
| SCHEMBL20929877 | 0.88 | SLC6A2 (0.37) | — | |
| SCHEMBL1746181 | 0.86 | SLC6A2 (0.42) | — | |
| Hydrazine SCHEMBL8557573 | 0.86 | SLC6A2 (0.36) | — | |
| SCHEMBL8557599 | 0.86 | SLC6A2 (0.36) | — | |
| SCHEMBL9149862 | 0.84 | EPHX1 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3858832-A1 | TRIFLUOROMETHYL-SUBSTITUTED SULFONAMIDE AS BCL-2-SELECTIVE INHIBITOR | Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) | 2021-08-04 | — | — | EP | disclosed |
| CN-108884070-A | PYRIDYL DERIVATIVES AS BROMODOMAIN INHIBITORS | 葛兰素史克知识产权第二有限公司 | 2018-11-23 | — | — | CN | disclosed |