⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5814129 | 0.82 | ADORA2A (0.35) | — | |
| SCHEMBL5777367 | 0.79 | KDM4E (0.48) | — | |
| SCHEMBL5778123 | 0.79 | — | — | |
| SCHEMBL5780720 | 0.77 | KDM4E (0.37) | — | |
| SCHEMBL5776756 | 0.73 | KDM4E (0.34) | — | |
| SCHEMBL5779396 | 0.65 | ALB (0.35) | — | |
| SCHEMBL5908463 | 0.62 | KDM4E (0.35) | — | |
| SCHEMBL5908450 | 0.62 | KDM4E (0.35) | — | |
| SCHEMBL5908454 | 0.62 | KDM4E (0.35) | — | |
| SCHEMBL5908617 | 0.60 | PRKD3 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1652839-A2 | Drug efflux pump inhibitor | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2006-05-03 | — | — | EP | disclosed |
| EP-1227084-B1 | DRUG DISCHARGE PUMP INHIBITORS | TRINE PHARMACEUTICALS INC (US) | 2005-12-14 | — | — | EP | disclosed |
| EP-1227084-A1 | DRUG DISCHARGE PUMP INHIBITORS | Microcide Pharmaceuticals, Inc. (US) | 2002-07-31 | — | — | EP | disclosed |