⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1813403 | 1.00 | — | — | |
| SCHEMBL27891010 | 1.00 | — | — | |
| SCHEMBL276400 | 0.89 | — | — | |
| Alcohol SCHEMBL28947608 | 0.86 | CACNA2D1 (0.43) | — | |
| SCHEMBL27936230 | 0.86 | CACNA2D1 (0.46) | — | |
| SCHEMBL804682 | 0.86 | CACNA2D1 (0.46) | — | |
| SCHEMBL27936231 | 0.86 | CACNA2D1 (0.46) | — | |
| SCHEMBL11761433 | 0.86 | CACNA2D1 (0.46) | — | |
| SCHEMBL5144412 | 0.86 | SLC22A6 (0.45) | — | |
| Propionic Acid SCHEMBL27814482 | 0.84 | FFAR3 (0.53) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102947310-A | Fused pyridine compounds as dual modulators of the 5-HT2A and D3 receptors | HOFFMANN LA ROCHE | 2013-02-27 | — | — | CN | disclosed |
| US-6586357-B1 | Stereospecific catalysts; enantioselective reduction; transition metal complexes | CHEMI S.P.A. (IT) | 2003-07-01 | — | — | US | disclosed |
| EP-0941231-B1 | Heteroarylic-arylic diphosphines as chiral ligands | CHEMI SPA (IT) | 2003-05-02 | — | — | EP | disclosed |
| US-6153758-A | Heteroarylic-arylic diphosphines as chiral ligands | CHEMI S.P.A. (IT) | 2000-11-28 | — | — | US | disclosed |
| US-6133191-A | Heteroaromatic diphosphines as chiral ligands | ITALFARMACO SUD S.P.A. (IT) | 2000-10-17 | — | — | US | disclosed |
| US-6077958-A | Heteroaromatic diphosphines as chiral ligands | ITALFARMACO SUD S.P.A. (IT) | 2000-06-20 | — | — | US | disclosed |
| EP-0941231-A1 | HETEROARYLIC-ARYLIC DIPHOSPHINES AS CHIRAL LIGANDS | CHEMI S.p.A. (IT) | 1999-09-15 | — | — | EP | disclosed |
| US-5907045-A | Heteroaromatic diphosphines as chiral ligands | ITALFARMACO SUD S.P.A. (IT) | 1999-05-25 | — | — | US | disclosed |
| WO-1998022484-A1 | HETEROARYLIC-ARYLIC DIPHOSPHINES AS CHIRAL LIGANDS | CHEMI S.P.A. (IT) | 1998-05-28 | — | — | WO | disclosed |