⚠ 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 | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL3272552 | 0.77 | ALDH1A1 (0.34) | — | |
| Sulfuric Acid SCHEMBL2252829 | 0.77 | ALDH1A1 (0.34) | — | |
| SCHEMBL11300955 | 0.77 | — | — | |
| Sulfuric Acid SCHEMBL5168347 | 0.77 | PYCR1 (0.36) | — | |
| Sulfuric Acid SCHEMBL5321193 | 0.77 | PYCR1 (0.36) | — | |
| Sulfuric Acid SCHEMBL28912679 | 0.75 | PYCR1 (0.35) | — | |
| SCHEMBL14837157 | 0.75 | MEN1 (0.37) | — | |
| SCHEMBL5229737 | 0.75 | — | — | |
| SCHEMBL1654109 | 0.75 | — | — | |
| SCHEMBL7059210 | 0.74 | KDM4E (0.37) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0896600-B1 | NON-THROMBOGENIC AND ANTI-THROMBOGENIC POLYMERS | LUTHRA AJAY KUMAR (GB) | 2000-01-12 | — | — | EP | claimed |
| WO-2003029226-A1 | HETEROCYCLYL SUBSTITUTED PHENOXYALKYL-, PHENYLTHIOALKYL-, PHENYLAMINOALKYL- AND PHENYLALKYL-SULFAMOYLCARBOXAMIDES | BASF AKTIENGESELLSCHAFT (DE) | 2003-04-10 | — | — | WO | disclosed |