⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12332375 | 0.75 | GRN (0.38) | — | |
| SCHEMBL1973298 | 0.70 | AHR (0.34) | — | |
| SCHEMBL300079 | 0.68 | HCAR2 (0.35) | — | |
| SCHEMBL317056 | 0.68 | — | — | |
| SCHEMBL148063 | 0.65 | — | — | |
| SCHEMBL2522318 | 0.65 | GRN (0.37) | — | |
| SCHEMBL28880726 | 0.65 | MAPT (0.45) | — | |
| SCHEMBL15284409 | 0.65 | HCAR2 (0.42) | — | |
| Water SCHEMBL29953274 | 0.64 | NOTUM (0.39) | — | |
| SCHEMBL22344982 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20110135585-A1 | Complex, Emulsion Containing The Same, And Water-In-Oil Emulsion Cosmetic Containing The Same | SHISEIDO COMPANY, LTD. (JP) | 2011-06-09 | — | — | US | disclosed |