⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3638986 | 0.82 | ALOX5 (0.33) | — | |
| SCHEMBL3638990 | 0.82 | ALOX5 (0.33) | — | |
| SCHEMBL3638992 | 0.82 | ALOX5 (0.33) | — | |
| SCHEMBL959437 | 0.80 | PRCP (0.30) | — | |
| SCHEMBL13953360 | 0.76 | CACNA1G (0.33) | — | |
| SCHEMBL959435 | 0.76 | CACNA1G (0.33) | — | |
| SCHEMBL956965 | 0.76 | KMT2A (0.38) | — | |
| SCHEMBL1904136 | 0.71 | HTT (0.35) | — | |
| SCHEMBL2567035 | 0.70 | KCNN4 (0.33) | — | |
| SCHEMBL2567029 | 0.70 | KCNN4 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110015157-A1 | CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 | Vitae Pharmaceuticals ,Inc. | 2011-01-20 | — | — | US | disclosed |