⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2040799 | 0.76 | BRD4 (0.36) | — | |
| SCHEMBL13021599 | 0.67 | HPGD (0.44) | — | |
| SCHEMBL23840301 | 0.66 | HPGD (0.44) | — | |
| SCHEMBL1870140 | 0.64 | MAOA (0.34) | — | |
| SCHEMBL17713649 | 0.62 | CDC7 (0.39) | — | |
| SCHEMBL24525781 | 0.60 | — | — | |
| SCHEMBL6331465 | 0.60 | USP2 (0.47) | — | |
| SCHEMBL16914655 | 0.59 | KRAS (0.39) | — | |
| SCHEMBL16297464 | 0.58 | — | — | |
| SCHEMBL6196968 | 0.58 | MEN1 (0.31) | — |
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-2507245-B1 | MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF | SUNOVION PHARMACEUTICALS INC (US) | 2017-04-12 | — | — | EP | disclosed |