⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24105671 | 0.82 | — | — | |
| SCHEMBL18483474 | 0.76 | — | — | |
| SCHEMBL6393533 | 0.72 | — | — | |
| SCHEMBL21500478 | 0.72 | — | — | |
| SCHEMBL19775401 | 0.72 | — | — | |
| SCHEMBL27328347 | 0.72 | — | — | |
| SCHEMBL20369068 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL22655784 | 0.70 | — | — | |
| Iodide SCHEMBL9023394 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL31320001 | 0.70 | — | — |
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-20180117060-A1 | COMBINATION OF CATALYTIC MTORC 1/2 INHIBITORS AND SELECTIVE INHIBITORS OF AURORA A KINASE | MILLENNIUM PHARM INC (US) | 2018-05-03 | — | — | US | disclosed |