⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3856738 | 0.97 | — | — | |
| SCHEMBL5671869 | 0.88 | — | — | |
| SCHEMBL3312612 | 0.88 | — | — | |
| SCHEMBL29703847 | 0.79 | ALDH1A1 (0.33) | — | |
| SCHEMBL6608222 | 0.72 | — | — | |
| SCHEMBL18434250 | 0.70 | — | — | |
| SCHEMBL8808864 | 0.70 | — | — | |
| SCHEMBL20725597 | 0.70 | — | — | |
| SCHEMBL21428068 | 0.70 | CYP1A2 (0.43) | — | |
| Cyclopropane SCHEMBL11122692 | 0.70 | ALDH1A1 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2057156-B1 | 2-METHYLMORPHOLINE PYRIDO-,PYRAZO- AND PYRIMIDO-PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS | KUDOS PHARM LTD (GB) | 2017-02-01 | — | — | EP | disclosed |