⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1965155 | 1.00 | — | — | |
| SCHEMBL17383925 | 0.76 | — | — | |
| SCHEMBL5331153 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL9399766 | 0.74 | LMNA (0.31) | — | |
| SCHEMBL19546015 | 0.74 | HIF1A (0.32) | — | |
| SCHEMBL21564658 | 0.70 | — | — | |
| SCHEMBL18902016 | 0.70 | — | — | |
| SCHEMBL28238748 | 0.69 | — | — | |
| SCHEMBL5092581 | 0.69 | — | — | |
| SCHEMBL21951078 | 0.67 | ADRB1 (0.36) | — |
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-108690584-A | A kind of compound profile control agent | 中国石油集团川庆钻探工程有限公司长庆井下技术作业公司 | 2018-10-23 | — | — | CN | disclosed |
| EP-2334657-A1 | PIPERAZINE D3 AND 5-HT2A RECEPTOR MODULATORS | F. Hoffmann-La Roche AG (CH) | 2011-06-22 | — | — | EP | disclosed |
| WO-2010031735-A1 | PIPERAZINE D3 AND 5-HT2A RECEPTOR MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-03-25 | — | — | WO | disclosed |