⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20127141 | 0.81 | NPC1 (0.32) | — | |
| SCHEMBL23259195 | 0.76 | — | — | |
| SCHEMBL18348908 | 0.75 | HSD17B10 (0.41) | — | |
| SCHEMBL12297337 | 0.75 | HSD17B10 (0.31) | — | |
| SCHEMBL23258631 | 0.75 | — | — | |
| SCHEMBL14524136 | 0.73 | — | — | |
| SCHEMBL13509110 | 0.73 | TSHR (0.48) | — | |
| SCHEMBL13154051 | 0.71 | — | — | |
| SCHEMBL15382348 | 0.71 | TSHR (0.44) | — | |
| SCHEMBL5884978 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9796716-B2 | Selective inhibitors of Tec and Src protein kinase families | PHARMASCIENCE, INC. (CA) | 2017-10-24 | — | — | US | disclosed |
| WO-2013177668-A1 | PROTEIN KINASE INHIBITORS | PHARMASCIENCE, INC. (CA) | 2013-12-05 | — | — | WO | disclosed |