⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9053790 | 0.78 | TK1 (0.34) | — | |
| SCHEMBL22359885 | 0.75 | UPP1 (0.30) | — | |
| SCHEMBL404053 | 0.74 | PDK1 (0.33) | — | |
| SCHEMBL13365338 | 0.74 | ALDH1A1 (0.35) | — | |
| SCHEMBL24789521 | 0.72 | ALDH1A1 (0.32) | — | |
| SCHEMBL22268924 | 0.72 | ALDH1A1 (0.32) | — | |
| SCHEMBL17581918 | 0.72 | ALDH1A1 (0.36) | — | |
| SCHEMBL20776462 | 0.71 | CA12 (0.42) | — | |
| SCHEMBL28380950 | 0.71 | ALDH1A1 (0.31) | — | |
| SCHEMBL9053624 | 0.71 | KMT2A (0.47) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1996006851-A2 | D-XYLOFURANOSE DERIVATIVES, METHOD OF PREPARING THEM, THEIR USE, AND NOVEL INTERMEDIATE COMPOUNDS FOR THE METHOD | CHEMPROSA HOLDING AG (AT) | 1996-03-07 | — | — | WO | disclosed |