⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18524415 | 0.85 | — | — | |
| SCHEMBL18524116 | 0.78 | — | — | |
| SCHEMBL18524123 | 0.74 | HTR3E (0.32) | — | |
| SCHEMBL15056458 | 0.74 | KDM4E (0.45) | — | |
| SCHEMBL17372829 | 0.73 | PNMT (0.31) | — | |
| SCHEMBL18524364 | 0.70 | — | — | |
| SCHEMBL15055780 | 0.70 | — | — | |
| SCHEMBL30834466 | 0.65 | TRPA1 (0.44) | — | |
| SCHEMBL11208796 | 0.65 | HTR2A (0.36) | — | |
| SCHEMBL16246590 | 0.65 | TRPA1 (0.44) | — |
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-2794563-B1 | HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS | ACTELION PHARMACEUTICALS LTD (CH) | 2017-02-22 | — | — | EP | disclosed |