⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25330339 | 0.82 | DNTT (0.32) | — | |
| SCHEMBL10699224 | 0.79 | — | — | |
| SCHEMBL4995457 | 0.78 | CYP3A4 (0.38) | — | |
| SCHEMBL2723415 | 0.75 | — | — | |
| SCHEMBL30173231 | 0.75 | — | — | |
| SCHEMBL28370555 | 0.75 | — | — | |
| SCHEMBL4227473 | 0.75 | — | — | |
| SCHEMBL27592951 | 0.75 | — | — | |
| SCHEMBL29217050 | 0.71 | — | — | |
| SCHEMBL10352782 | 0.71 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118084724-A | Method for preparing aryl nitrile by copper-catalyzed oxidation and cleavage of alkyl-substituted aromatic ring and aromatic heterocyclic carbon-carbon bond | 中国科学院大连化学物理研究所 | 2024-05-28 | — | — | CN | disclosed |
| US-7432255-B2 | 1H-indol-5-yl-piperazin-1-yl-methanone derivatives | HOFFMANN-LA ROCHE INC. (US) | 2008-10-07 | — | — | US | disclosed |
| US-20070270423-A1 | IH-indol-5-YL-piperazin-1-YL-methanone derivatives | HOFFMANN-LA ROCHE INC. | 2007-11-22 | — | — | US | disclosed |