⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12921281 | 0.94 | — | — | |
| SCHEMBL12921230 | 0.91 | TSHR (0.33) | — | |
| SCHEMBL187529 | 0.91 | MMP2 (0.33) | — | |
| SCHEMBL14734249 | 0.88 | MMP2 (0.32) | — | |
| SCHEMBL12921226 | 0.87 | PDE4D (0.34) | — | |
| SCHEMBL8053179 | 0.86 | MTOR (0.32) | — | |
| SCHEMBL12921205 | 0.86 | ALDH1A1 (0.30) | — | |
| SCHEMBL8058980 | 0.86 | HTR2A (0.32) | — | |
| SCHEMBL12209419 | 0.86 | — | — | |
| SCHEMBL973013 | 0.86 | HTR2A (0.31) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2610258-B1 | Substituted piperidino dihydrothieno pyrimidines | BOEHRINGER INGELHEIM INT (DE) | 2014-08-27 | — | — | EP | disclosed |
| US-8754073-B2 | Substituted piperazino-dihydrothienopyrimidines | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-06-17 | — | — | US | disclosed |
| US-8754073-B2 | Substituted piperazino-dihydrothienopyrimidines | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-06-17 | — | — | US | disclosed |
| US-8754073-B2 | Substituted piperazino-dihydrothienopyrimidines | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-06-17 | — | — | US | disclosed |
| EP-2610258-A1 | Substituted piperidino dihydrothieno pyrimidines | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-07-03 | — | — | EP | disclosed |
| EP-2380891-A1 | Substituted piperidino-dihydrothienopyrimidines | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-10-26 | — | — | EP | disclosed |
| US-20110021501-A1 | SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-01-27 | — | — | US | disclosed |
| US-20110021501-A1 | SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-01-27 | — | — | US | disclosed |
| US-20110021501-A1 | SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-01-27 | — | — | US | disclosed |
| WO-2009050248-A1 | SUBSTITUTED PIPERIDINO-DIHYDROTHIENOPYRIMIDINES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-04-23 | — | — | WO | disclosed |