⚠ 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL17019870 | 0.94 | — | — | |
| SCHEMBL17019871 | 0.88 | — | — | |
| SCHEMBL194785 | 0.83 | PANK3 (0.38) | — | |
| SCHEMBL7709089 | 0.83 | PANK3 (0.38) | — | |
| SCHEMBL18683974 | 0.83 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL516240 | 0.79 | KDM4E (0.33) | — | |
| SCHEMBL18683880 | 0.78 | SORD (0.39) | — | |
| SCHEMBL516214 | 0.78 | SORD (0.39) | — | |
| SCHEMBL10193228 | 0.78 | HSP90AA1 (0.33) | — | |
| SCHEMBL7713979 | 0.78 | HSP90AA1 (0.33) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2400961-B1 | MEDICINE COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS | BOEHRINGER INGELHEIM INT (DE) | 2017-11-22 | — | — | EP | disclosed |
| EP-2205609-B1 | HETEROCYCLE SUBSTITUTED PIPERAZINO DIHYDROTHIENO PYRIMIDINES | BOEHRINGER INGELHEIM INT (DE) | 2017-03-29 | — | — | EP | disclosed |
| WO-2011124524-A1 | COMBINATIONS OF MEDICAMENTS, CONTAINING PDE4 INHIBITORS AND EP4 RECEPTOR ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-10-13 | — | — | WO | disclosed |
| WO-2010097332-A1 | DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-09-02 | — | — | WO | disclosed |
| WO-2009050242-A2 | HETEROCYCLE-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-04-23 | — | — | WO | disclosed |