⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3097066 | 1.00 | — | — | |
| SCHEMBL16280840 | 1.00 | — | — | |
| SCHEMBL13900281 | 1.00 | — | — | |
| SCHEMBL29093226 | 1.00 | — | — | |
| SCHEMBL429701 | 1.00 | — | — | |
| SCHEMBL13317542 | 0.96 | TSHR (0.44) | — | |
| SCHEMBL18277107 | 0.87 | — | — | |
| SCHEMBL50575 | 0.87 | — | — | |
| SCHEMBL12863650 | 0.87 | — | — | |
| SCHEMBL8653862 | 0.85 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109336887-B | Benzimidazole chiral heterocyclic compound and preparation method and application thereof | 中山大学 | 2021-12-17 | — | — | CN | claimed |
| CN-106831862-B | Chiral bridged axial chiral monophosphine ligand and preparation method thereof | 中山大学 | 2021-01-15 | — | — | CN | claimed |
| CN-116947925-A | Bridged biphenyl monophosphine ligand containing benzofuran structure, and preparation method and application thereof | 中山大学 | 2023-10-27 | — | — | CN | disclosed |
| CN-109336887-B | Benzimidazole chiral heterocyclic compound and preparation method and application thereof | 中山大学 | 2021-12-17 | — | — | CN | disclosed |
| CN-106831862-B | Chiral bridged axial chiral monophosphine ligand and preparation method thereof | 中山大学 | 2021-01-15 | — | — | CN | disclosed |
| EP-0912583-B1 | LIGANDS FOR ASYMMETRIC CATALYSIS | CHIROTECH TECHNOLOGY LTD (GB) | 2002-09-11 | — | — | EP | disclosed |
| US-5936109-A | A CHIRAL POSPHETANE OR BISPHOSPHETANE LIGAND FOR TRANSITION METAL-CONTAINING COMPLEXES OF HYDROGENATION AND HYDROFORMYLATION CATALYSTS; STEREOSPECIFIC | CHIROTECH TECHNOLOGY LIMITED (GB) | 1999-08-10 | — | — | US | disclosed |