⚠ 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 | |
|---|---|---|---|---|
| Methoxymethane SCHEMBL11593979 | 0.85 | — | — | |
| SCHEMBL16775 | 0.80 | — | — | |
| SCHEMBL194072 | 0.80 | — | — | |
| SCHEMBL10862 | 0.80 | — | — | |
| SCHEMBL4950820 | 0.80 | TSHR (0.50) | — | |
| SCHEMBL4901795 | 0.80 | TSHR (0.50) | — | |
| SCHEMBL2430668 | 0.80 | TSHR (0.50) | — | |
| SCHEMBL5606390 | 0.80 | — | — | |
| SCHEMBL3814841 | 0.80 | — | — | |
| Vinyl Ether SCHEMBL29220649 | 0.79 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102746424-A | Free radical polymerization initiator composition and its application | NANJING HUASHI CHEMICAL CO LTD | 2012-10-24 | — | — | CN | disclosed |
| EP-0317969-A2 | Modified liquid electrostatic developer having improved image scratch resistance | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1989-05-31 | — | — | EP | disclosed |
| US-4820605-A | CHARGE DIRECTOR COMPOUND, THERMOPLASTIC RESIN, WAXES, METALLIC SOAPS AND/OR SALTS IN NONPOLAR LIQUID | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1989-04-11 | — | — | US | disclosed |