⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3163353 | 0.99 | — | — | |
| Potassium SCHEMBL3167125 | 0.98 | — | — | |
| Potassium Ion SCHEMBL3167116 | 0.89 | CDK5 (0.32) | — | |
| SCHEMBL3162336 | 0.82 | PLA2G2A (0.35) | — | |
| SCHEMBL3161846 | 0.81 | MET (0.39) | — | |
| SCHEMBL3158179 | 0.79 | MET (0.40) | — | |
| SCHEMBL3589699 | 0.79 | AURKA (0.39) | — | |
| Potassium SCHEMBL3161871 | 0.78 | MET (0.39) | — | |
| SCHEMBL3149520 | 0.77 | TSHR (0.36) | — | |
| SCHEMBL12101260 | 0.64 | AGBL2 (0.34) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2162132-A1 | HETEROCYCLIC KINASE MODULATORS | SGX Pharmaceuticals, Inc. (US) | 2010-03-17 | — | — | EP | disclosed |
| US-20090156594-A1 | HETEROCYCLIC KINASE MODULATORS | SGX PHARMACEUTICALS, INC. (US) | 2009-06-18 | — | — | US | disclosed |
| WO-2008144767-A1 | HETEROCYCLIC KINASE MODULATORS | SGX PHARMACEUTICALS, INC. (US) | 2008-11-27 | — | — | WO | disclosed |