⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20150139 | 0.83 | GABRA1 (0.39) | — | |
| SCHEMBL24034824 | 0.73 | GABRA1 (0.39) | — | |
| SCHEMBL1369255 | 0.73 | TTR (0.35) | — | |
| SCHEMBL2221187 | 0.70 | CYP3A4 (0.40) | — | |
| SCHEMBL1685558 | 0.69 | TTR (0.37) | — | |
| SCHEMBL29538596 | 0.68 | LMNA (0.59) | — | |
| SCHEMBL467310 | 0.68 | LMNA (0.59) | — | |
| SCHEMBL19122345 | 0.67 | TRPA1 (0.45) | — | |
| SCHEMBL5508810 | 0.64 | LMNA (0.58) | — | |
| SCHEMBL31291547 | 0.64 | TTR (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 |
|---|---|---|---|---|---|---|---|
| US-20180127370-A1 | PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF | NAVITOR PHARMACEUTICALS, INC. | 2018-05-10 | — | — | US | disclosed |