⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16359269 | 0.77 | MRGPRX2 (0.33) | — | |
| SCHEMBL8315194 | 0.76 | — | — | |
| SCHEMBL17173448 | 0.76 | — | — | |
| SCHEMBL13814710 | 0.71 | — | — | |
| SCHEMBL8242069 | 0.67 | — | — | |
| SCHEMBL13562501 | 0.67 | — | — | |
| SCHEMBL12459556 | 0.67 | — | — | |
| SCHEMBL8025628 | 0.67 | — | — | |
| SCHEMBL12286686 | 0.67 | — | — | |
| SCHEMBL12955664 | 0.67 | — | — |
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-1935887-A1 | Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands | Aventis Pharmaceuticals, Inc. (US) | 2008-06-25 | — | — | EP | disclosed |
| WO-2007143694-A2 | MACROCYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS | ENANTA PHARMACEUTICALS, INC. (US) | 2007-12-13 | — | — | WO | disclosed |