⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15660178 | 0.90 | — | — | |
| SCHEMBL15659600 | 0.90 | TSHR (0.33) | — | |
| SCHEMBL5169937 | 0.90 | TSHR (0.33) | — | |
| SCHEMBL15660103 | 0.90 | TSHR (0.33) | — | |
| SCHEMBL3966397 | 0.88 | TSHR (0.35) | — | |
| SCHEMBL2503287 | 0.87 | — | — | |
| SCHEMBL168608 | 0.87 | — | — | |
| SCHEMBL5696339 | 0.87 | — | — | |
| SCHEMBL14502486 | 0.83 | — | — | |
| SCHEMBL27628307 | 0.83 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0283586-B1 | HOMOLOGATION PROCESS | UNION CARBIDE CORPORATION (US) | 1993-03-17 | — | — | EP | disclosed |
| US-4902833-A | Bisphosphine dioxides | UNION CARBIDE CHEMICALS AND PLASTICS COMPANY INC. (US) | 1990-02-20 | — | — | US | disclosed |
| EP-0283586-A2 | Homologation process | UNION CARBIDE CORPORATION (US) | 1988-09-28 | — | — | EP | disclosed |
| US-4727200-A | RHODIUM-BASED CATALYST; MILD CONDITIONS | UNION CARBIDE CORPORATION (US) | 1988-02-23 | — | — | US | disclosed |