⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10327174 | 0.83 | NOS3 (0.37) | — | |
| SCHEMBL12949146 | 0.77 | ALDH1A1 (0.32) | — | |
| SCHEMBL18727433 | 0.71 | — | — | |
| SCHEMBL14550074 | 0.69 | HSD11B1 (0.31) | — | |
| SCHEMBL7893573 | 0.67 | NOS3 (0.31) | — | |
| SCHEMBL4752634 | 0.67 | HSD11B1 (0.31) | — | |
| SCHEMBL30857799 | 0.65 | CCR5 (0.35) | — | |
| SCHEMBL7808288 | 0.64 | HSD11B1 (0.45) | — | |
| SCHEMBL5074095 | 0.64 | HSD11B1 (0.33) | — | |
| SCHEMBL30798149 | 0.64 | HSD11B1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9724354-B2 | Combination of catalytic mTORC1/2 inhibitors and selective inhibitors of Aurora A kinase | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2017-08-08 | — | — | US | disclosed |
| US-20170209448-A1 | TREATMENT REGIMENS USING MULTIPLE PHARMACEUTICAL AGENTS | INTELLIKINE LLC | 2017-07-27 | — | — | US | disclosed |