⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL270387 | 0.89 | NPSR1 (0.43) | — | |
| SCHEMBL6904418 | 0.79 | GRIN2D (0.38) | — | |
| SCHEMBL2699640 | 0.79 | — | — | |
| SCHEMBL14149498 | 0.79 | NPSR1 (0.32) | — | |
| SCHEMBL14149400 | 0.78 | DPP4 (0.31) | — | |
| SCHEMBL12861250 | 0.76 | NPSR1 (0.31) | — | |
| SCHEMBL14149402 | 0.75 | GRIN2D (0.36) | — | |
| SCHEMBL1397825 | 0.75 | NPSR1 (0.47) | — | |
| SCHEMBL14149404 | 0.73 | GRIN2D (0.33) | — | |
| SCHEMBL10414911 | 0.73 | TSHR (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-9447026-B2 | Bicyclic analgesic compounds | KALYRA PHARMACEUTICALS, INC. (US) | 2016-09-20 | — | — | US | disclosed |
| US-20160016892-A1 | BICYCLIC ANALGESIC COMPOUNDS | KALYRA PHARMACEUTICALS, INC. (US) | 2016-01-21 | — | — | US | disclosed |