⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8728222 | 0.78 | — | — | |
| SCHEMBL150679 | 0.72 | ALDH1A1 (0.44) | — | |
| SCHEMBL672469 | 0.72 | ALDH1A1 (0.44) | — | |
| SCHEMBL28207405 | 0.71 | — | — | |
| SCHEMBL28821507 | 0.69 | ALDH1A1 (0.41) | — | |
| SCHEMBL152334 | 0.69 | — | — | |
| SCHEMBL114625 | 0.69 | — | — | |
| SCHEMBL28329124 | 0.69 | ALDH1A1 (0.41) | — | |
| SCHEMBL322207 | 0.69 | — | — | |
| SCHEMBL28254434 | 0.69 | — | — |
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-6008306-A | COMPOSITION OF STRAINED CYCLOOLEFIN AND A DIVALENT CATIONIC RUTHENIUM OR OSMIUM BOUND TO 1-3 TERTIARY PHOSPHINE LIGANDS, THE PHOSPHINE GROUPS CONTAIN PHENYL SUBSTITUTED BY ALKYL, ALKOXY OR HALOALKYL GROUPS; IMPROVED CATALYTIC ACTIVITY | CIBA SPECIALTY CHEMICALS CORPORATION (US) | 1999-12-28 | — | — | US | disclosed |
| US-4548976-A | Bis-(norbornyl or substituted norbornyl) derivatives of a phenol or a phenylamine, process for their preparation and compositions containing same | THE DOW CHEMICAL COMPANY (US) | 1985-10-22 | — | — | US | disclosed |
| EP-0126193-A1 | Bis-(norbornyl or substituted norbornyl) derivatives of a phenol or a phenylamine, process for their preparation and compositions containing same | THE DOW CHEMICAL COMPANY (US) | 1984-11-28 | — | — | EP | disclosed |