⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20033974 | 0.71 | CA12 (0.36) | — | |
| SCHEMBL4279554 | 0.70 | PDE4A (0.32) | — | |
| SCHEMBL6701853 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL2769609 | 0.69 | GABRA1 (0.44) | — | |
| SCHEMBL4610096 | 0.69 | IDO1 (0.35) | — | |
| SCHEMBL4298018 | 0.69 | APOBEC3G (0.32) | — | |
| SCHEMBL3975615 | 0.67 | FGFR1 (0.36) | — | |
| SCHEMBL3977654 | 0.67 | PTGS1 (0.37) | — | |
| SCHEMBL1262626 | 0.67 | KMT2A (0.32) | — | |
| SCHEMBL6615173 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7514452-B2 | 2-furancarboxylic acid hydrazides and pharmaceutical compositions containing the same | DAINIPPON PHARMACEUTICAL CO., LTD (JP) | 2009-04-07 | — | — | US | disclosed |
| US-20050171196-A1 | 2-Furancarboxylic acid hydrazides and pharmaceutical compositions containing the same | DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) | 2005-08-04 | — | — | US | disclosed |
| EP-1489077-A1 | 2-FURANCARBOXYLIC ACID HYDRAZIDES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | DAINIPPON PHARMACEUTICAL CO., LTD. (JP) | 2004-12-22 | — | — | EP | disclosed |