⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL116935 | 0.79 | — | — | |
| Chloroform SCHEMBL30048392 | 0.79 | — | — | |
| Chloroform SCHEMBL11125723 | 0.72 | — | — | |
| Chloroform SCHEMBL88 | 0.71 | — | — | |
| SCHEMBL4943189 | 0.71 | — | — | |
| Chloroform SCHEMBL11043408 | 0.71 | LMNA (1.00) | — | |
| Chloroform SCHEMBL10950487 | 0.71 | LMNA (1.00) | — | |
| SCHEMBL11350031 | 0.71 | — | — | |
| SCHEMBL4799 | 0.71 | — | — | |
| SCHEMBL15048602 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2084162-A2 | BICYCLIC TRIAZOLES AS PROTEIN KINASE MODULATORS | SGX Pharmaceuticals, Inc. (US) | 2009-08-05 | — | — | EP | disclosed |
| WO-2008051808-A2 | BICYCLIC TRIAZOLES AS PROTEIN KINASE MODULATORS | SGX PHARMACEUTICALS, INC. (US) | 2008-05-02 | — | — | WO | disclosed |