⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1951212 | 0.82 | PPM1B (0.37) | — | |
| SCHEMBL1417951 | 0.80 | MAPT (0.42) | — | |
| SCHEMBL7189528 | 0.80 | MAPT (0.42) | — | |
| SCHEMBL27550910 | 0.80 | MAPT (0.42) | — | |
| SCHEMBL18601945 | 0.79 | PRCP (0.43) | — | |
| SCHEMBL30404697 | 0.79 | ALDH1A1 (0.40) | — | |
| Hydrochloric Acid SCHEMBL4283062 | 0.78 | MAPT (0.44) | — | |
| Hydrochloric Acid SCHEMBL2920606 | 0.78 | MAPT (0.44) | — | |
| SCHEMBL28974790 | 0.76 | CYP1A2 (0.30) | — | |
| SCHEMBL10069014 | 0.76 | CHRNB2 (0.42) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4829449-B2 | — | — | 2011-12-07 | — | — | JP | claimed |
| JP-2003508353-A | — | — | 2003-03-04 | — | — | JP | claimed |
| EP-1208097-A2 | SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS | Aventis Pharmaceuticals Inc. (US) | 2002-05-29 | — | — | EP | claimed |
| WO-2001007436-A2 | SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS | AVENTIS PHARMACEUTICALS INC. (US) | 2001-02-01 | — | — | WO | claimed |