⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29338902 | 0.80 | SIGMAR1 (0.31) | — | |
| SCHEMBL29339536 | 0.80 | SIGMAR1 (0.31) | — | |
| SCHEMBL14618009 | 0.78 | FFAR1 (0.31) | — | |
| SCHEMBL27413945 | 0.78 | FFAR1 (0.31) | — | |
| SCHEMBL2035202 | 0.74 | GGPS1 (0.34) | — | |
| SCHEMBL2035200 | 0.74 | GGPS1 (0.34) | — | |
| SCHEMBL15835829 | 0.73 | KDM5A (0.32) | — | |
| SCHEMBL18900691 | 0.72 | FAAH (0.50) | — | |
| SCHEMBL317978 | 0.70 | TRPA1 (0.33) | — | |
| SCHEMBL23108051 | 0.68 | — | — |
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-3210609-A1 | PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS | ARIAD PHARMACEUTICALS, INC. (US) | 2017-08-30 | — | — | EP | disclosed |