⚠ 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 | |
|---|---|---|---|---|
| Acetone SCHEMBL27446971 | 1.00 | — | — | |
| Acetone SCHEMBL27288 | 1.00 | — | — | |
| Acetone SCHEMBL29112742 | 0.94 | — | — | |
| Acetone SCHEMBL28752943 | 0.94 | — | — | |
| Acetone SCHEMBL2024752 | 0.94 | — | — | |
| Acetone SCHEMBL11758182 | 0.94 | — | — | |
| Acetone SCHEMBL10613241 | 0.94 | — | — | |
| Acetone SCHEMBL531270 | 0.94 | — | — | |
| Acetone SCHEMBL5676969 | 0.94 | — | — | |
| Acetone SCHEMBL11659509 | 0.94 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2025025038-A1 | POSITIVE ELECTRODE MATERIAL CONTAINING NANO ALUMINUM OXIDE COATING LAYER AND PREPARATION METHOD FOR POSITIVE ELECTRODE MATERIAL | 广东邦普循环科技有限公司 | 2025-02-06 | — | — | WO | disclosed |
| CN-115779898-A | Catalyst for removing aldehyde from 1, 3-propylene glycol and preparation method and application thereof | 宁波环洋新材料股份有限公司 | 2023-03-14 | — | — | CN | disclosed |
| CN-105793745-A | Optical film and method for producing optical film | 柯尼卡美能达株式会社 | 2016-07-20 | — | — | CN | disclosed |
| CN-85103240-A | Titanium-aluminium-phosphorus-titanium-aluminum-phosphorus-silicon-oxide molecular sieve compositions | — | 1986-10-22 | — | — | CN | disclosed |