⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9494595 | 0.78 | — | — | |
| SCHEMBL28267882 | 0.78 | TSHR (0.36) | — | |
| SCHEMBL8185435 | 0.77 | — | — | |
| SCHEMBL1137566 | 0.77 | — | — | |
| SCHEMBL20434060 | 0.76 | — | — | |
| SCHEMBL15934100 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL7259810 | 0.75 | — | — | |
| Iodide SCHEMBL27904692 | 0.75 | — | — | |
| SCHEMBL26316946 | 0.75 | — | — | |
| SCHEMBL22519831 | 0.75 | MEN1 (0.31) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230126391-A1 | ALPHA-METHYL-SUBSTITUTED DIAZABICYCLO[4.3.1] DECANE DERIVATIVES FOR TREATMENT OF PSYCHIATRIC DISORDERS | Technische Universität Darmstadt (DE) | 2023-04-27 | — | — | US | disclosed |
| WO-1991013049-A1 | CHEMICAL ALTERATION OF A HYDROPHOBIC SUBSTANCE IN POLYMERIC MICROREGIONS | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 1991-09-05 | — | — | WO | 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 |