⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19932127 | 0.84 | NOS3 (0.37) | — | |
| SCHEMBL31466461 | 0.77 | — | — | |
| SCHEMBL1952683 | 0.76 | CYP3A4 (0.31) | — | |
| SCHEMBL25494714 | 0.75 | — | — | |
| SCHEMBL24186327 | 0.75 | — | — | |
| SCHEMBL1195455 | 0.75 | — | — | |
| SCHEMBL7859519 | 0.75 | — | — | |
| SCHEMBL4489186 | 0.73 | HRH3 (0.34) | — | |
| SCHEMBL24820166 | 0.72 | — | — | |
| SCHEMBL23158170 | 0.72 | HRH3 (0.33) | — |
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-2018045071-A1 | INHIBITORS OF CELLULAR METABOLIC PROCESSES | AGIOS PHARMACEUTICALS, INC. (US) | 2018-03-08 | — | — | WO | disclosed |