⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3800401 | 0.80 | — | — | |
| SCHEMBL11823584 | 0.74 | — | — | |
| SCHEMBL6528896 | 0.73 | KDM4E (0.36) | — | |
| SCHEMBL16701357 | 0.71 | KDM4E (0.33) | — | |
| SCHEMBL2489037 | 0.70 | ALDH1A1 (0.32) | — | |
| SCHEMBL11873656 | 0.67 | — | — | |
| SCHEMBL11283344 | 0.67 | — | — | |
| SCHEMBL2362263 | 0.67 | CA2 (0.30) | — | |
| SCHEMBL7986212 | 0.67 | — | — | |
| SCHEMBL28649338 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6624120-B1 | Such as 1-(4-cyano-2-fluoro-5-(6-methoxy-naphthalen-2-yl-oxy)-phenyl)-2,6-dioxo -1,2,3,6-tetrahydro-pyrimidine-4-carboxylic acid | BAYER AKTIENGESELLSCHAFT (DE) | 2003-09-23 | — | — | US | claimed |
| US-6284447-B1 | CONTAINING 2-OXOBENZOFURAN COMPOUND | AGFA-GEVAERT (BE) | 2001-09-04 | — | — | US | disclosed |