⚠ 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 | |
|---|---|---|---|---|
| Diethylamine SCHEMBL817235 | 0.79 | TRPA1 (0.43) | — | |
| SCHEMBL17850618 | 0.77 | — | — | |
| SCHEMBL562702 | 0.76 | KDM1A (0.63) | — | |
| SCHEMBL562701 | 0.76 | KDM1A (0.63) | — | |
| SCHEMBL23982982 | 0.76 | TRPA1 (0.46) | — | |
| SCHEMBL17832939 | 0.76 | — | — | |
| SCHEMBL8083138 | 0.76 | — | — | |
| SCHEMBL8083141 | 0.76 | — | — | |
| SCHEMBL12955587 | 0.76 | — | — | |
| SCHEMBL15551792 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014100695-A1 | PRMT5 INHIBITORS AND USES THEREOF | Epizyme, Inc. (US) | 2014-06-26 | — | — | WO | disclosed |