⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6265644 | 1.00 | — | — | |
| SCHEMBL6903625 | 1.00 | — | — | |
| SCHEMBL9680799 | 0.94 | — | — | |
| SCHEMBL9680794 | 0.94 | — | — | |
| SCHEMBL12124420 | 0.94 | — | — | |
| SCHEMBL12659382 | 0.92 | NPC1 (0.41) | — | |
| SCHEMBL5158585 | 0.92 | NPC1 (0.41) | — | |
| SCHEMBL5158590 | 0.92 | NPC1 (0.41) | — | |
| SCHEMBL5162566 | 0.92 | NPC1 (0.41) | — | |
| SCHEMBL12659388 | 0.92 | NPC1 (0.41) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7968734-B2 | Organocatalysts and methods of use in chemical synthesis | STC.UNM (US) | 2011-06-28 | — | — | US | disclosed |
| US-7432303-B2 | Chalcone and its analogs as agents for the inhibition of angiogenesis and related disease states | Bowen, J. Phillip (US) | 2008-10-07 | — | — | US | disclosed |
| US-20070244328-A1 | Organocatalysts and Methods of Use in Chemical Synthesis | STC.UNM (US) | 2007-10-18 | — | — | US | disclosed |
| US-20050288523-A1 | Chiral diphosphorus compounds and transition metal complexes thereof | LANXESS DEUTSCHLAND GMBH (DE) | 2005-12-29 | — | — | US | disclosed |
| EP-1595885-A2 | Chiral diphosphorus compounds and their transition metal complexes | Lanxess Deutschland GmbH (DE) | 2005-11-16 | — | — | EP | disclosed |