⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3685783 | 0.76 | — | — | |
| SCHEMBL20077601 | 0.65 | — | — | |
| SCHEMBL28893643 | 0.62 | — | — | |
| SCHEMBL23829767 | 0.61 | — | — | |
| Acetic Acid SCHEMBL4896259 | 0.59 | CYP2C19 (0.35) | — | |
| SCHEMBL18703555 | 0.59 | — | — | |
| SCHEMBL16963735 | 0.59 | APLNR (0.32) | — | |
| SCHEMBL11007803 | 0.58 | ALDH1A1 (0.31) | — | |
| SCHEMBL11444852 | 0.58 | CHRNB2 (0.31) | — | |
| SCHEMBL3009236 | 0.58 | — | — |
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-5374628-A | Aryl and heteroaryl(phosphinylmethyl)phosphonate squalene synthetase inhibitors and method | E. R. SQUIBB & SONS, INC. (US) | 1994-12-20 | — | — | US | disclosed |
| US-5278153-A | Hypocholesterolemic or hypolipemic | E. R. SQUIBB & SONS, INC. (US) | 1994-01-11 | — | — | US | disclosed |
| EP-0570706-A1 | Aryl and heteroaryl (phosphinylmethyl) phosphonate squalene synthetase inhibitors and method | E.R. SQUIBB & SONS, INC. (US) | 1993-11-24 | — | — | EP | disclosed |