⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL875225 | 0.97 | — | — | |
| SCHEMBL28046112 | 0.93 | — | — | |
| SCHEMBL28146822 | 0.93 | — | — | |
| SCHEMBL27996074 | 0.93 | — | — | |
| SCHEMBL11668578 | 0.93 | — | — | |
| SCHEMBL11512060 | 0.93 | — | — | |
| Ethylene Glycol SCHEMBL17074054 | 0.85 | SLC1A3 (0.37) | — | |
| SCHEMBL11416627 | 0.84 | SLC1A3 (0.40) | — | |
| SCHEMBL31093257 | 0.81 | — | — | |
| SCHEMBL226531 | 0.77 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3992323-A | NICKEL SOURCE, ELECTRON DONOR LIGAND AND A LEWIS ACID | ATLANTIC RICHFIELD COMPANY (US) | 1976-11-16 | — | — | US | disclosed |
| US-3991119-A | Hydroformylation over cobalt on support comprising separate alumina phase | ATLANTIC RICHFIELD COMPANY (US) | 1976-11-09 | — | — | US | disclosed |
| US-3954668-A | COMPLEX WITH ARYLCHLOROPHOSPHINE AND LEWIS ACID | ATLANTIC RICHFIELD COMPANY (US) | 1976-05-04 | — | — | US | disclosed |
| US-3949013-A | CATALYTIC ADDITION POLYMERIZATION, NICKEL COMPOUND, HYDROCARBYL PHOSPHINE, REDUCING AGENT | ATLANTIC RICHFIELD COMPANY (US) | 1976-04-06 | — | — | US | disclosed |