⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15976739 | 1.00 | — | — | |
| SCHEMBL7711778 | 0.86 | — | — | |
| SCHEMBL186950 | 0.86 | — | — | |
| SCHEMBL15976869 | 0.86 | — | — | |
| SCHEMBL4064127 | 0.76 | — | — | |
| SCHEMBL10266952 | 0.75 | CCR5 (0.32) | — | |
| SCHEMBL194327 | 0.75 | CCNA2 (0.33) | — | |
| SCHEMBL7715595 | 0.75 | CCNA2 (0.33) | — | |
| SCHEMBL9270241 | 0.74 | TRPV3 (0.35) | — | |
| SCHEMBL1186776 | 0.74 | TRPV3 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2214673-B1 | PHENYL-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES | BOEHRINGER INGELHEIM INT (DE) | 2012-05-30 | — | — | EP | disclosed |