⚠ 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 | |
|---|---|---|---|---|
| Propane SCHEMBL3519784 | 0.86 | — | — | |
| Pentane SCHEMBL6821616 | 0.84 | — | — | |
| Propanol SCHEMBL29262539 | 0.84 | — | — | |
| Alcohol SCHEMBL6892564 | 0.82 | — | — | |
| Propylamine SCHEMBL10873507 | 0.81 | — | — | |
| Alcohol SCHEMBL28181694 | 0.78 | TSHR (0.50) | — | |
| Alcohol SCHEMBL27681744 | 0.78 | — | — | |
| Ethylamine SCHEMBL4019123 | 0.78 | — | — | |
| Nitrous Acid SCHEMBL6037875 | 0.75 | — | — | |
| Nitrous Acid SCHEMBL10950895 | 0.75 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116314736-A | Lithium composite material and preparation method and application thereof | 深圳市研一新材料有限责任公司 | 2023-06-23 | — | — | CN | claimed |
| CN-116314736-A | Lithium composite material and preparation method and application thereof | 深圳市研一新材料有限责任公司 | 2023-06-23 | — | — | CN | disclosed |
| US-20040237383-A1 | Combustion modifiers for water-blended fuels | LUBRIZOL CORPORATION, THE | 2004-12-02 | — | — | US | disclosed |
| EP-1408788-A1 | COMBUSTION MODIFIERS FOR WATER-BLENDED FUELS | THE LUBRIZOL CORPORATION (US) | 2004-04-21 | — | — | EP | disclosed |
| WO-2002068334-A1 | COMBUSTION MODIFIERS FOR WATER-BLENDED FUELS | THE LUBRIZOL CORPORATION (US) | 2002-09-06 | — | — | WO | disclosed |
| US-3970519-A | BREVIBACTERIUM OR CORYNEBACTERIUM | AJINOMOTO CO., INC. (JA) | 1976-07-20 | — | — | US | disclosed |