⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14466936 | 0.73 | — | — | |
| SCHEMBL3126692 | 0.73 | — | — | |
| SCHEMBL28241779 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL22771846 | 0.71 | CYP1A2 (0.50) | — | |
| SCHEMBL2271126 | 0.71 | — | — | |
| SCHEMBL18849168 | 0.71 | — | — | |
| SCHEMBL5598155 | 0.71 | — | — | |
| SCHEMBL509439 | 0.70 | — | — | |
| SCHEMBL503741 | 0.67 | ALDH1A1 (0.34) | — | |
| SCHEMBL2140191 | 0.67 | CYP1A2 (0.52) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-107083386-A | Prevent GEM 132 of CTGF and application thereof | 埃克斯雷德制药有限公司 | 2017-08-22 | — | — | CN | disclosed |
| EP-0120757-A1 | Compositions in the form of microglobules consisting of partially quaternised, tertiary polyamines, and containing hydrophobic compounds, their preparation and application | Etablissement Public dit: CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 1984-10-03 | — | — | EP | disclosed |