⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16671186 | 1.00 | — | — | |
| SCHEMBL2436973 | 0.72 | — | — | |
| SCHEMBL2436975 | 0.72 | — | — | |
| SCHEMBL2227766 | 0.72 | ALDH1A1 (0.32) | — | |
| SCHEMBL235759 | 0.71 | KDM4E (0.36) | — | |
| SCHEMBL317785 | 0.71 | KDM4E (0.36) | — | |
| SCHEMBL2227881 | 0.69 | CYP1A2 (0.46) | — | |
| Hydrochloric Acid SCHEMBL10694337 | 0.68 | KDM4E (0.34) | — | |
| Ammonia Solution, Strong SCHEMBL9748105 | 0.68 | KDM4E (0.34) | — | |
| Hydrochloric Acid SCHEMBL10694332 | 0.68 | KDM4E (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015059618-A1 | SUBSTITUTED PYRIMIDINE COMPOUNDS AS mPGES-1 INHIBITORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2015-04-30 | — | — | WO | disclosed |
| EP-2382240-A2 | POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP | Bridgestone Corporation (JP) | 2011-11-02 | — | — | EP | disclosed |
| WO-2010085622-A9 | POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP | BRIDGESTONE CORPORATION (JP) | 2010-12-23 | — | — | WO | disclosed |
| WO-2010085622-A2 | POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP | BRIDGESTONE CORPORATION (JP) | 2010-07-29 | — | — | WO | disclosed |