⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22734118 | 0.80 | — | — | |
| SCHEMBL31491332 | 0.79 | — | — | |
| SCHEMBL22734114 | 0.77 | — | — | |
| SCHEMBL26968832 | 0.77 | — | — | |
| SCHEMBL23068576 | 0.77 | — | — | |
| SCHEMBL31571836 | 0.77 | LATS1 (0.32) | — | |
| SCHEMBL30639341 | 0.77 | LATS1 (0.32) | — | |
| SCHEMBL29576569 | 0.77 | LATS1 (0.32) | — | |
| SCHEMBL30639342 | 0.77 | LATS1 (0.32) | — | |
| SCHEMBL26968803 | 0.76 | PDE4A (0.37) | — |
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-20120035143-A1 | DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-02-09 | — | — | US | disclosed |
| US-20110021501-A1 | SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-01-27 | — | — | US | disclosed |