⚠ 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL17019868 | 0.89 | CYP11B2 (0.32) | — | |
| SCHEMBL194614 | 0.87 | — | — | |
| SCHEMBL7717785 | 0.87 | — | — | |
| SCHEMBL17019875 | 0.85 | GPR6 (0.31) | — | |
| SCHEMBL15808557 | 0.84 | ITGB3 (0.34) | — | |
| SCHEMBL17019865 | 0.81 | SORD (0.32) | — | |
| SCHEMBL16924601 | 0.80 | — | — | |
| SCHEMBL17019860 | 0.78 | HSP90AA1 (0.32) | — | |
| SCHEMBL17019871 | 0.77 | — | — | |
| Trifluoroacetic Acid SCHEMBL17019873 | 0.76 | WHR1 (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 |
|---|---|---|---|---|---|---|---|
| US-9115142-B2 | Heterocycle-substituted piperazino-dihydrothienopyrimidines | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2015-08-25 | — | — | US | disclosed |