⚠ 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 | |
|---|---|---|---|---|
| Fluoromethane SCHEMBL27527660 | 0.92 | — | — | |
| SCHEMBL7529535 | 0.91 | ALDH1A1 (0.44) | — | |
| SCHEMBL1438 | 0.91 | — | — | |
| SCHEMBL11779415 | 0.88 | — | — | |
| SCHEMBL1919359 | 0.88 | — | — | |
| SCHEMBL25416150 | 0.88 | — | — | |
| Water SCHEMBL404087 | 0.88 | — | — | |
| SCHEMBL21776861 | 0.88 | — | — | |
| Methane SCHEMBL1857106 | 0.88 | — | — | |
| Ethylene SCHEMBL5527 | 0.88 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-112930376-A | Combination of water-based primer composition and ink, and printed matter | 阪田油墨股份有限公司 | 2021-06-08 | — | — | CN | disclosed |
| CN-104746837-B | Mixing floor product | 阿姆斯特郎世界工业公司 | 2018-08-10 | — | — | CN | disclosed |
| CN-104169809-B | Electrophoto-graphic toner | 三井化学株式会社 | 2018-05-01 | — | — | CN | disclosed |
| US-4063878-A | Applying sublimation indicia to pressure-sensitive adhesive tape | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1977-12-20 | — | — | US | disclosed |