⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27625353 | 0.87 | SPHK1 (0.32) | — | |
| SCHEMBL28521959 | 0.87 | SPHK1 (0.32) | — | |
| SCHEMBL29204993 | 0.78 | GAA (0.33) | — | |
| Hydrochloric Acid SCHEMBL29204950 | 0.76 | GAA (0.32) | — | |
| SCHEMBL28532503 | 0.76 | — | — | |
| SCHEMBL29042466 | 0.76 | — | — | |
| SCHEMBL28281031 | 0.76 | — | — | |
| Bromide SCHEMBL28540807 | 0.74 | — | — | |
| SCHEMBL27838027 | 0.73 | — | — | |
| SCHEMBL27947121 | 0.72 | OPRM1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0646412-B1 | Catalyst composition and process for the dimerisation of olefins | INST FRANCAIS DU PETROLE (FR) | 1999-05-19 | — | — | EP | claimed |
| US-5550306-A | Catalytic process for the dimerization of olefins | INSTITUT FRANCAIS DU PETROLE (FR) | 1996-08-27 | — | — | US | claimed |
| US-5536689-A | Catalytic composition and a process for the dimerization of olefins | INSTITUT FRANCAIS DU PETROLE (FR) | 1996-07-16 | — | — | US | claimed |
| CN-108840311-B | Hydrogen sulfide liquid-phase oxidation removal method using eutectic solvent as medium | 南京大学 | 2022-04-22 | — | — | CN | disclosed |
| CN-105418511-A | 1-butyl-3-methylimidazole naphthoic formate ionic liquid and preparation method and application thereof | UNIV WENZHOU MEDICAL | 2016-03-23 | — | — | CN | disclosed |