⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10206057 | 0.74 | — | — | |
| SCHEMBL266267 | 0.74 | — | — | |
| SCHEMBL10206056 | 0.74 | — | — | |
| SCHEMBL587983 | 0.73 | — | — | |
| SCHEMBL325282 | 0.73 | — | — | |
| SCHEMBL187766 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL1960050 | 0.71 | SRD5A1 (0.46) | — | |
| Hydrochloric Acid SCHEMBL31404994 | 0.71 | SRD5A1 (0.46) | — | |
| Hydrochloric Acid SCHEMBL31491375 | 0.71 | SRD5A1 (0.46) | — | |
| SCHEMBL13101106 | 0.70 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009050248-A1 | SUBSTITUTED PIPERIDINO-DIHYDROTHIENOPYRIMIDINES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-04-23 | — | — | WO | disclosed |