⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9497640 | 0.76 | — | — | |
| SCHEMBL6419486 | 0.72 | LMNA (0.38) | — | |
| Propene SCHEMBL1617448 | 0.71 | ALDH1A1 (0.44) | — | |
| Propene SCHEMBL9579550 | 0.69 | ALDH1A1 (0.43) | — | |
| Acrylonitrile SCHEMBL3923395 | 0.69 | ALDH1A1 (0.40) | — | |
| Water SCHEMBL28863261 | 0.69 | ALDH1A1 (0.50) | — | |
| Water SCHEMBL9637163 | 0.69 | ALDH1A1 (0.50) | — | |
| SCHEMBL19974177 | 0.68 | HIF1A (0.40) | — | |
| SCHEMBL7535426 | 0.67 | — | — | |
| SCHEMBL8927443 | 0.66 | — | — |
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-5256520-A | Comprising ethylenical unsaturated monomer, photoinitiator system including sensitizers, chain transfer agent and hexaarylbisimidazole; photosensitivity | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1993-10-26 | — | — | US | disclosed |
| US-5204467-A | (3-Oxo-5,5-dialkylcyclohex-1-en-1-yl)-ch=ch)-substituted indole,quinoline or benzoxazole,-othiazole or -imidazole derivatives; photoresists; holography | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1993-04-20 | — | — | US | disclosed |