⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL398808 | 0.87 | NPC1 (0.31) | — | |
| SCHEMBL398807 | 0.87 | NPC1 (0.31) | — | |
| SCHEMBL398806 | 0.87 | NPC1 (0.31) | — | |
| SCHEMBL10070593 | 0.79 | — | — | |
| SCHEMBL10070250 | 0.79 | — | — | |
| SCHEMBL1541426 | 0.67 | SYK (0.32) | — | |
| SCHEMBL1541425 | 0.67 | SYK (0.32) | — | |
| SCHEMBL22150208 | 0.61 | HRH4 (0.40) | — | |
| SCHEMBL6232861 | 0.61 | ATM (0.35) | — | |
| SCHEMBL6232862 | 0.61 | ATM (0.35) | — |
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-2043646-B1 | (E)-N-{3-(8-Chloro-11H-10-oxa-1-aza- dibenzo[a,d]cyclohepten-5-ylidene)-propyl]-phenyl} -methanesulfonamide as a GLUCOCORTICOID RECEPTOR MODULATOR AND METHODS OF USE | LILLY CO ELI (US) | 2012-05-16 | — | — | EP | disclosed |