⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL187943 | 0.94 | — | — | |
| SCHEMBL12921291 | 0.88 | MAPT (0.39) | — | |
| SCHEMBL12921205 | 0.85 | ALDH1A1 (0.30) | — | |
| SCHEMBL8061267 | 0.85 | KDM4E (0.32) | — | |
| SCHEMBL12209204 | 0.85 | KDM4E (0.32) | — | |
| SCHEMBL187000 | 0.83 | KDM4E (0.32) | — | |
| SCHEMBL12921372 | 0.82 | EHMT2 (0.31) | — | |
| SCHEMBL12921231 | 0.82 | — | — | |
| SCHEMBL973010 | 0.81 | ALDH1A1 (0.41) | — | |
| SCHEMBL8053865 | 0.81 | GPR119 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8754073-B2 | Substituted piperazino-dihydrothienopyrimidines | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-06-17 | — | — | US | disclosed |
| US-20110021501-A1 | SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-01-27 | — | — | US | disclosed |