⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20156884 | 0.89 | CYP1A2 (0.34) | — | |
| SCHEMBL20157030 | 0.87 | CYP1A2 (0.31) | — | |
| SCHEMBL20157338 | 0.86 | POLB (0.33) | — | |
| SCHEMBL20157294 | 0.86 | MC4R (0.36) | — | |
| SCHEMBL20157310 | 0.85 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL20157072 | 0.84 | CYP1A2 (0.31) | — | |
| SCHEMBL20157544 | 0.84 | CYP1A2 (0.31) | — | |
| SCHEMBL20157299 | 0.84 | CYP1A2 (0.31) | — | |
| SCHEMBL20157536 | 0.84 | CYP1A2 (0.31) | — | |
| SCHEMBL20157313 | 0.84 | CYP1A2 (0.32) | — |
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-2018089433-A1 | PHENYL mTORC INHIBITORS AND USES THEREOF | NAVITOR PHARMACEUTICALS, INC. (US) | 2018-05-17 | — | — | WO | disclosed |