⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8347116 | 0.70 | — | — | |
| SCHEMBL11304850 | 0.65 | — | — | |
| SCHEMBL11761907 | 0.62 | HTR1A (0.30) | — | |
| SCHEMBL10884391 | 0.58 | — | — | |
| SCHEMBL11787039 | 0.58 | SHBG (0.49) | — | |
| SCHEMBL17963605 | 0.58 | CA1 (0.33) | — | |
| SCHEMBL13219285 | 0.57 | CA1 (0.38) | — | |
| SCHEMBL15963496 | 0.57 | SHBG (0.51) | — | |
| SCHEMBL15903885 | 0.57 | SHBG (0.51) | — | |
| SCHEMBL20328942 | 0.57 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0984972-B1 | CHIRAL PHOSPHORUS-BASED LIGANDS | CHIROTECH TECHNOLOGY LTD (GB) | 2002-07-31 | — | — | EP | disclosed |
| US-6156935-A | Chiral phosphorus-based ligands | CHIROTECH TECHNOLOGY, LTD. (GB) | 2000-12-05 | — | — | US | disclosed |