⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11518161 | 0.64 | — | — | |
| SCHEMBL6702602 | 0.64 | — | — | |
| SCHEMBL14580257 | 0.55 | HTR2C (0.49) | — | |
| SCHEMBL6357916 | 0.55 | CTRB1 (0.39) | — | |
| SCHEMBL7832377 | 0.54 | TSHR (0.36) | — | |
| SCHEMBL10017608 | 0.54 | CTRB1 (0.53) | — | |
| SCHEMBL31462691 | 0.53 | TRPM5 (0.35) | — | |
| SCHEMBL194726 | 0.53 | HTR2C (0.51) | — | |
| SCHEMBL19989831 | 0.52 | — | — | |
| SCHEMBL20380129 | 0.52 | ALDH1A1 (0.39) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2349999-B1 | ALLOSTERIC PROTEIN KINASE MODULATORS | UNIV SAARLAND (DE) | 2016-01-27 | — | — | EP | disclosed |
| US-8912186-B2 | Allosteric protein kinase modulators | UNIVERSITAET DES SAARLANDES (DE) | 2014-12-16 | — | — | US | disclosed |
| US-20120046307-A1 | ALLOSTERIC PROTEIN KINASE MODULATORS | UNIVERSITAET DES SAARLANDES (DE) | 2012-02-23 | — | — | US | disclosed |
| EP-2349999-A1 | ALLOSTERIC PROTEIN KINASE MODULATORS | Universität des Saarlandes (DE) | 2011-08-03 | — | — | EP | disclosed |
| WO-2010043711-A1 | ALLOSTERIC PROTEIN KINASE MODULATORS | UNIVERSITAET DES SAARLANDES (DE) | 2010-04-22 | — | — | WO | disclosed |
| EP-2177510-A1 | Allosteric protein kinase modulators | Universität des Saarlandes (DE) | 2010-04-21 | — | — | EP | disclosed |