⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24016837 | 0.73 | DPP4 (0.31) | — | |
| SCHEMBL14087874 | 0.68 | MAPT (0.34) | — | |
| SCHEMBL21163733 | 0.67 | — | — | |
| SCHEMBL9941959 | 0.67 | — | — | |
| SCHEMBL19721381 | 0.64 | KDM4E (0.38) | — | |
| SCHEMBL6902342 | 0.64 | — | — | |
| SCHEMBL29744932 | 0.63 | DRD2 (0.36) | — | |
| SCHEMBL19052298 | 0.62 | — | — | |
| SCHEMBL14627790 | 0.62 | — | — | |
| SCHEMBL7182131 | 0.62 | MAPT (0.34) | — |
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-3508477-A1 | C5AR ANTAGONISTS | ChemoCentryx, Inc. (US) | 2019-07-10 | — | — | EP | disclosed |