⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL804646 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL31648852 | 0.79 | HCAR2 (0.39) | — | |
| SCHEMBL1640481 | 0.77 | — | — | |
| SCHEMBL24763152 | 0.77 | — | — | |
| SCHEMBL4278362 | 0.77 | HCAR2 (0.38) | — | |
| SCHEMBL20928057 | 0.77 | HCAR2 (0.38) | — | |
| SCHEMBL27730791 | 0.76 | — | — | |
| SCHEMBL2307129 | 0.74 | — | — | |
| SCHEMBL1206525 | 0.74 | HCAR2 (0.35) | — | |
| SCHEMBL2237139 | 0.74 | JAK2 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102596910-A | Androgen receptor modulating compounds | ORION CORP | 2012-07-18 | — | — | CN | disclosed |
| US-7589199-B2 | Substituted piperazines | CHEMOCENTRYX, INC. (US) | 2009-09-15 | — | — | US | disclosed |