⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8058904 | 0.91 | DRD2 (0.35) | — | |
| SCHEMBL12921456 | 0.90 | MLYCD (0.36) | — | |
| SCHEMBL8058245 | 0.90 | — | — | |
| SCHEMBL12921230 | 0.90 | TSHR (0.33) | — | |
| SCHEMBL10266603 | 0.90 | SOS1 (0.33) | — | |
| SCHEMBL12209419 | 0.90 | — | — | |
| SCHEMBL12921226 | 0.90 | PDE4D (0.34) | — | |
| SCHEMBL10266281 | 0.89 | — | — | |
| SCHEMBL8043173 | 0.88 | USP30 (0.35) | — | |
| SCHEMBL8055859 | 0.87 | DRD2 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2215092-B1 | SUBSTITUTED PIPERIDINO-DIHYDROTHIENOPYRIMIDINES | BOEHRINGER INGELHEIM INT (DE) | 2012-01-25 | — | — | EP | disclosed |
| WO-2009050248-A1 | SUBSTITUTED PIPERIDINO-DIHYDROTHIENOPYRIMIDINES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-04-23 | — | — | WO | disclosed |