⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8853191 | 0.81 | — | — | |
| SCHEMBL9227511 | 0.75 | PTGS1 (0.32) | — | |
| SCHEMBL233353 | 0.72 | — | — | |
| SCHEMBL3759036 | 0.72 | — | — | |
| SCHEMBL22418766 | 0.71 | — | — | |
| SCHEMBL5268893 | 0.71 | — | — | |
| SCHEMBL21517654 | 0.70 | PTGS1 (0.32) | — | |
| SCHEMBL3178769 | 0.70 | PTGS1 (0.32) | — | |
| SCHEMBL3367982 | 0.68 | AKR1B1 (0.40) | — | |
| SCHEMBL1839680 | 0.68 | GRIK1 (0.31) | — |
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-0415593-B1 | Electrodeposition paint composition | NISSAN MOTOR (JP) | 1995-02-01 | — | — | EP | claimed |
| US-4019972-A | Photopolymerizable copying compositions containing biuret-based polyfunctional monomers | HOECHST AKTIENGESELLSCHAFT (DT) | 1977-04-26 | — | — | US | disclosed |