⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2326455 | 0.94 | HSD11B1 (0.31) | — | |
| SCHEMBL14630450 | 0.89 | PROKR1 (0.32) | — | |
| SCHEMBL14636476 | 0.79 | — | — | |
| SCHEMBL15913566 | 0.79 | — | — | |
| SCHEMBL2324383 | 0.79 | — | — | |
| SCHEMBL14636196 | 0.76 | — | — | |
| SCHEMBL2324491 | 0.72 | — | — | |
| SCHEMBL15913992 | 0.70 | CA12 (0.32) | — | |
| SCHEMBL14630229 | 0.67 | — | — | |
| SCHEMBL2330655 | 0.67 | — | — |
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-2385053-A2 | Intermediates for the preparation of fused bicyclic mTOR inhibitors | OSI Pharmaceuticals, Inc. (US) | 2011-11-09 | — | — | EP | disclosed |