⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12882475 | 0.85 | — | — | |
| SCHEMBL2177336 | 0.85 | — | — | |
| SCHEMBL6372249 | 0.76 | — | — | |
| SCHEMBL738207 | 0.76 | — | — | |
| SCHEMBL18869011 | 0.71 | — | — | |
| SCHEMBL81240 | 0.67 | — | — | |
| SCHEMBL3259496 | 0.67 | — | — | |
| SCHEMBL13076 | 0.67 | — | — | |
| SCHEMBL22919094 | 0.67 | KMT2A (0.37) | — | |
| SCHEMBL15837593 | 0.67 | CACNA2D1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9994577-B2 | Azepanyl-derivatives and pharmaceutical compositions comprising the same with antiparasitic activity | MERCK PATENT GMBH (DE) | 2018-06-12 | — | — | US | disclosed |
| US-20170137428-A1 | AZEPANYL-DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME WITH ANTIPARASITIC ACTIVITY | MERCK PATENT GMBH (DE) | 2017-05-18 | — | — | US | disclosed |