⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2012857 | 0.67 | — | — | |
| SCHEMBL4187727 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL31112226 | 0.65 | CHRM2 (0.31) | — | |
| Hydrochloric Acid SCHEMBL31112496 | 0.65 | CHRM2 (0.31) | — | |
| Hydrochloric Acid SCHEMBL31112937 | 0.63 | CHRM2 (0.30) | — | |
| SCHEMBL10672870 | 0.57 | ALDH1A1 (0.57) | — | |
| SCHEMBL2105103 | 0.57 | ALDH1A1 (0.57) | — | |
| Formic Acid SCHEMBL38661831 | 0.57 | — | — | |
| SCHEMBL7851960 | 0.55 | ALDH1A1 (0.53) | — | |
| SCHEMBL7845038 | 0.55 | ALDH1A1 (0.53) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7557108-B2 | (Indol-4-yl) or (indol-5-yl)-piperazinylmethanones | HOFFMANN-LA ROCHE INC. (US) | 2009-07-07 | — | — | US | disclosed |
| US-7432255-B2 | 1H-indol-5-yl-piperazin-1-yl-methanone derivatives | HOFFMANN-LA ROCHE INC. (US) | 2008-10-07 | — | — | US | disclosed |
| US-20080188486-A1 | (INDOL-4-YL) OR (INDOL-5-YL)-PIPERAZINYLMETHANONES | F. HOFFMANN-LA ROCHE AG (CH) | 2008-08-07 | — | — | US | disclosed |
| US-20070270423-A1 | IH-indol-5-YL-piperazin-1-YL-methanone derivatives | HOFFMANN-LA ROCHE INC. | 2007-11-22 | — | — | US | disclosed |