⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27589681 | 0.81 | — | — | |
| SCHEMBL27786532 | 0.78 | — | — | |
| SCHEMBL27764729 | 0.76 | — | — | |
| SCHEMBL27854718 | 0.71 | — | — | |
| SCHEMBL28102194 | 0.68 | TSHR (0.31) | — | |
| SCHEMBL28007562 | 0.67 | — | — | |
| SCHEMBL27345884 | 0.66 | KDM4E (0.31) | — | |
| SCHEMBL27472036 | 0.63 | — | — | |
| SCHEMBL27342628 | 0.63 | SRD5A1 (0.33) | — | |
| SCHEMBL13822054 | 0.62 | TSHR (0.32) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100542534-C | Substituted piperazines | CHEMOCENTRYX INC (US) | 2009-09-23 | — | — | CN | disclosed |