⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10892837 | 1.00 | — | — | |
| SCHEMBL134944 | 0.80 | — | — | |
| SCHEMBL134945 | 0.80 | — | — | |
| SCHEMBL20976966 | 0.80 | TRPA1 (0.35) | — | |
| SCHEMBL31419765 | 0.80 | PPARA (0.38) | — | |
| SCHEMBL29795040 | 0.80 | ALDH1A1 (0.47) | — | |
| SCHEMBL29405666 | 0.80 | ALDH1A1 (0.47) | — | |
| SCHEMBL14256114 | 0.79 | — | — | |
| SCHEMBL27984620 | 0.79 | — | — | |
| SCHEMBL6874824 | 0.78 | — | — |
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-5585530-A | CATALYTICALLY DEHYDROGENATING A SATURATED HYDROGEN-DONOR HYDROCARBON IN THE PRESENCE OF A HYDROGEN-ACCEPTOR HYDROCARBON THAT IS MORE HIGHLY UNSATURATED THAN A MONO-OLEFIN | INSTITUT FRANCAIS DU PETROLE (FR) | 1996-12-17 | — | — | US | disclosed |
| EP-0584095-B1 | Process for the production of olefins | INST FRANCAIS DU PETROLE (FR) | 1996-08-28 | — | — | EP | disclosed |
| US-4570025-A | HYDROGENATION IN THE PRESENCE OF PALLADIUM METAL ON AN ALUMINUM PHOSPHATE SUPPORT CATALYST | PHILLIPS PETROLEUM COMPANY (US) | 1986-02-11 | — | — | US | disclosed |