⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13850728 | 0.78 | — | — | |
| Acetone SCHEMBL28184994 | 0.77 | MEN1 (0.38) | — | |
| SCHEMBL3891234 | 0.76 | — | — | |
| SCHEMBL19732818 | 0.76 | — | — | |
| SCHEMBL7615594 | 0.76 | — | — | |
| SCHEMBL4864289 | 0.76 | — | — | |
| SCHEMBL28562640 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL25313224 | 0.75 | TDP1 (0.39) | — | |
| SCHEMBL22343804 | 0.74 | — | — | |
| Methyl Alcohol SCHEMBL28853893 | 0.73 | MEN1 (0.39) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114853634-A | Nicotinyl alcohol ether derivative, preparation method thereof, pharmaceutical composition and application | 中国医学科学院药物研究所 | 2022-08-05 | — | — | CN | disclosed |
| CN-109153670-B | Nicotinyl alcohol ether derivative, preparation method thereof, pharmaceutical composition and application | 中国医学科学院药物研究所 | 2022-03-15 | — | — | CN | disclosed |
| CN-111718310-B | Phenyl-substituted five-membered heterocyclic compound, and preparation method, application and pharmaceutical composition thereof | 中国药科大学 | 2021-06-11 | — | — | CN | disclosed |
| CN-109153670-A | Nicotinyl alcohol ether derivative, preparation method thereof, pharmaceutical composition and application | 中国医学科学院药物研究所 | 2019-01-04 | — | — | CN | disclosed |
| EP-0124067-A1 | 2-(Aminoalkyl)-pyrrole derivatives, process for their manufacture and their use | CASSELLA Aktiengesellschaft (DE) | 1984-11-07 | — | — | EP | disclosed |