⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13980581 | 1.00 | — | — | |
| SCHEMBL14647082 | 0.83 | CES2 (0.30) | — | |
| SCHEMBL19074386 | 0.80 | — | — | |
| SCHEMBL13898263 | 0.78 | — | — | |
| SCHEMBL13184839 | 0.78 | — | — | |
| SCHEMBL18971632 | 0.78 | — | — | |
| SCHEMBL13948748 | 0.76 | HRH3 (0.30) | — | |
| SCHEMBL17012115 | 0.76 | — | — | |
| SCHEMBL13149527 | 0.75 | — | — | |
| SCHEMBL13552282 | 0.75 | TAAR1 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2121608-B1 | DIHYDROPYRIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS | BAYER IP GMBH (DE) | 2012-11-14 | — | — | EP | disclosed |
| WO-2010115264-A1 | INHIBITORS OF HIV REPLICATION | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-10-14 | — | — | WO | disclosed |