⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8049916 | 0.71 | JAK2 (0.37) | — | |
| SCHEMBL19560011 | 0.70 | — | — | |
| SCHEMBL14754619 | 0.64 | LATS1 (0.31) | — | |
| SCHEMBL15976814 | 0.62 | — | — | |
| SCHEMBL19969657 | 0.61 | NNMT (0.32) | — | |
| SCHEMBL24166294 | 0.54 | HCAR2 (0.33) | — | |
| SCHEMBL15088500 | 0.53 | — | — | |
| SCHEMBL24104432 | 0.48 | HDAC3 (0.38) | — | |
| SCHEMBL4591763 | 0.46 | — | — | |
| SCHEMBL21834946 | 0.46 | — | — |
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-2610258-A1 | Substituted piperidino dihydrothieno pyrimidines | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-07-03 | — | — | EP | disclosed |