⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13281 | 0.93 | — | — | |
| SCHEMBL8512657 | 0.93 | HSP90AA1 (0.36) | — | |
| SCHEMBL11643137 | 0.86 | — | — | |
| Water SCHEMBL3930320 | 0.86 | HSP90AA1 (0.33) | — | |
| SCHEMBL655798 | 0.86 | — | — | |
| SCHEMBL25412605 | 0.86 | — | — | |
| Ammonia Solution, Strong SCHEMBL11224319 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL8881787 | 0.86 | — | — | |
| SCHEMBL11647940 | 0.86 | — | — | |
| SCHEMBL5163972 | 0.86 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4329384-A | Pressure-sensitive adhesive tape produced from photoactive mixture of acrylic monomers and polynuclear-chromophore-substituted halomethyl-2-triazine | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1982-05-11 | — | — | US | disclosed |