⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20133814 | 0.63 | CRHR1 (0.33) | — | |
| SCHEMBL20133823 | 0.63 | — | — | |
| SCHEMBL20149775 | 0.60 | ESR1 (0.31) | — | |
| SCHEMBL25440538 | 0.58 | GPR84 (0.39) | — | |
| SCHEMBL20133820 | 0.57 | — | — | |
| SCHEMBL11584902 | 0.57 | NOS3 (0.41) | — | |
| SCHEMBL1109757 | 0.57 | RAPGEF4 (0.38) | — | |
| SCHEMBL23889734 | 0.56 | THRA (0.36) | — | |
| SCHEMBL2045702 | 0.56 | ALDH1A1 (0.35) | — | |
| SCHEMBL20076500 | 0.56 | NOS3 (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 |
|---|---|---|---|---|---|---|---|
| US-20180127370-A1 | PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF | NAVITOR PHARMACEUTICALS, INC. | 2018-05-10 | — | — | US | disclosed |