⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26734012 | 0.71 | CXCR2 (0.32) | — | |
| SCHEMBL23386190 | 0.68 | CYP2C9 (0.31) | — | |
| SCHEMBL21637209 | 0.65 | — | — | |
| SCHEMBL26607093 | 0.64 | ACHE (0.47) | — | |
| SCHEMBL12251284 | 0.64 | LMNA (0.55) | — | |
| SCHEMBL23772052 | 0.64 | P2RX3 (0.43) | — | |
| SCHEMBL16736875 | 0.63 | LMNA (0.49) | — | |
| SCHEMBL12067546 | 0.61 | DPP4 (0.34) | — | |
| SCHEMBL17988488 | 0.61 | POLB (0.46) | — | |
| SCHEMBL17988495 | 0.61 | ALOX15 (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3076968-B1 | CCR6 COMPOUNDS | CHEMOCENTRYX INC (US) | 2019-04-17 | — | — | EP | disclosed |