⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8277474 | 0.80 | NPC1 (0.30) | — | |
| SCHEMBL2047182 | 0.78 | GCGR (0.31) | — | |
| SCHEMBL12151324 | 0.70 | — | — | |
| SCHEMBL3710356 | 0.70 | — | — | |
| SCHEMBL387693 | 0.67 | — | — | |
| SCHEMBL1107282 | 0.67 | — | — | |
| SCHEMBL2043728 | 0.67 | — | — | |
| SCHEMBL8773533 | 0.65 | — | — | |
| SCHEMBL387305 | 0.65 | — | — | |
| SCHEMBL14189819 | 0.61 | ADORA3 (0.53) | — |
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 |