⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL2444211 | 0.38 | — | — | |
| Water SCHEMBL8667865 | 0.38 | — | — | |
| Water SCHEMBL1286304 | 0.38 | — | — | |
| Water SCHEMBL14230856 | 0.38 | — | — | |
| Water SCHEMBL1669368 | 0.38 | — | — | |
| Water SCHEMBL9642862 | 0.38 | — | — | |
| Water SCHEMBL207951 | 0.38 | — | — | |
| Water SCHEMBL9324921 | 0.38 | — | — | |
| Water SCHEMBL21523875 | 0.38 | — | — | |
| Water SCHEMBL29401311 | 0.38 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007147829-A1 | AZOLOPYRIMIDINE COMPOUNDS AND THEIR USE FOR CONTROLLING HARMFUL FUNGI | BASF SE (DE) | 2007-12-27 | — | — | WO | disclosed |
| US-6900179-B2 | Carbamyloxy compounds which inhibit leukocyte adhesion mediated by VLA-4 | ELAN PHARMACEUTICALS, INC. | 2005-05-31 | — | — | US | disclosed |
| US-6362341-B1 | ANTIINFLAMMATORY AGENTS | ATHENA NEUROSCIENCES, INC. | 2002-03-26 | — | — | US | disclosed |