⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28405936 | 1.00 | — | — | |
| SCHEMBL1233960 | 1.00 | — | — | |
| SCHEMBL1307795 | 0.88 | — | — | |
| SCHEMBL209084 | 0.88 | — | — | |
| SCHEMBL765487 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL28644266 | 0.86 | GPR119 (0.30) | — | |
| SCHEMBL30814721 | 0.81 | TSHR (0.41) | — | |
| SCHEMBL208710 | 0.76 | — | — | |
| SCHEMBL87239 | 0.72 | — | — | |
| Formic Acid SCHEMBL28955876 | 0.72 | — | — |
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-114981270-B | MLL1 inhibitors and anticancer agents | 诺华公司 | 2024-10-18 | — | — | CN | claimed |
| CN-110885323-A | Triazole alcohol derivative, and preparation method and application thereof | 中国人民解放军第二军医大学 | 2020-03-17 | — | — | CN | claimed |
| CN-110885323-A | Triazole alcohol derivative, and preparation method and application thereof | 中国人民解放军第二军医大学 | 2020-03-17 | — | — | CN | disclosed |
| US-20090062251-A1 | Novel Compounds 002 | ASTRAZENECA AB (SE) | 2009-03-05 | — | — | US | disclosed |