⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4862279 | 0.76 | — | — | |
| Dimethyl Sulfoxide SCHEMBL7862291 | 0.57 | — | — | |
| Dimethyl Sulfoxide SCHEMBL7867399 | 0.57 | — | — | |
| SCHEMBL4074404 | 0.53 | — | — | |
| SCHEMBL2285265 | 0.52 | — | — | |
| SCHEMBL3163383 | 0.50 | — | — | |
| SCHEMBL127814 | 0.47 | — | — | |
| SCHEMBL4670499 | 0.45 | — | — | |
| SCHEMBL19114631 | 0.45 | — | — | |
| SCHEMBL5309363 | 0.42 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019153216-A1 | SUBSTITUTED ARYLAMINO ALCOHOL COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF | 北京梅尔森医药技术开发有限公司 | 2019-08-15 | — | — | WO | disclosed |