⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22434870 | 0.81 | PKM (0.31) | — | |
| SCHEMBL24136162 | 0.76 | CYP11B1 (0.35) | — | |
| SCHEMBL24136161 | 0.74 | — | — | |
| SCHEMBL20505098 | 0.73 | HASPIN (0.30) | — | |
| SCHEMBL24136225 | 0.72 | — | — | |
| SCHEMBL24136163 | 0.72 | — | — | |
| SCHEMBL24136192 | 0.72 | — | — | |
| SCHEMBL24136224 | 0.67 | — | — | |
| SCHEMBL24136193 | 0.65 | HRH4 (0.33) | — | |
| SCHEMBL8528070 | 0.65 | CYP3A4 (0.41) | — |
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-3928836-A1 | N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS | Idorsia Pharmaceuticals Ltd (CH) | 2021-12-29 | — | — | EP | disclosed |