⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL27732724 | 0.97 | — | — | |
| SCHEMBL2968811 | 0.83 | — | — | |
| Ethylene Glycol SCHEMBL4725586 | 0.71 | ALDH1A1 (0.43) | — | |
| SCHEMBL8717070 | 0.71 | — | — | |
| SCHEMBL295737 | 0.71 | — | — | |
| SCHEMBL251442 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL1154 | 0.71 | — | — | |
| SCHEMBL4738672 | 0.69 | ALDH1A1 (0.48) | — | |
| SCHEMBL9304758 | 0.69 | — | — | |
| SCHEMBL23094116 | 0.69 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5328993-A | Dyeing plastics; colorfastness, photostability | BAYER AKTIENGESELLSCHAFT (DE) | 1994-07-12 | — | — | US | disclosed |
| US-4288362-A | Monoazo pigments containing a quinazo linonylacetoacetanilide coupling component | BAYER AKTIENGESELLSCHAFT (DE) | 1981-09-08 | — | — | US | disclosed |
| US-4260540-A | SPIN DYEING POLYACRYLONITRILE | BAYER AKTIENGESELLSCHAFT (DE) | 1981-04-07 | — | — | US | disclosed |
| US-4225489-A | Heterocyclic azo dyes and pigments containing 4-quinazolinone moieties | BAYER AKTIENGESELLSCHAFT (DE) | 1980-09-30 | — | — | US | disclosed |