⚠ 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 | |
|---|---|---|---|---|
| Acetonitrile SCHEMBL28484047 | 1.00 | — | — | |
| SCHEMBL2851521 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL27655414 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL28997367 | 0.85 | — | — | |
| Ethylene SCHEMBL8980260 | 0.83 | — | — | |
| SCHEMBL28782479 | 0.79 | — | — | |
| Acetic Acid SCHEMBL28427803 | 0.76 | FFAR3 (0.30) | — | |
| Acetonitrile SCHEMBL15796038 | 0.67 | — | — | |
| SCHEMBL29250353 | 0.65 | — | — | |
| Acetonitrile SCHEMBL2801394 | 0.64 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112010744-A | Farnesyl acetone and preparation method thereof | 武汉臻智生物科技有限公司 | 2020-12-01 | — | — | CN | claimed |
| CN-111892604-A | Novel preparation method and application of imide molecular material of polycyclic aromatic hydrocarbon | 中国科学院化学研究所 | 2020-11-06 | — | — | CN | claimed |
| US-5563290-A | Method for preparing optically active succinic acid compound | NIPPON OIL CO. LTD. (JP) | 1996-10-08 | — | — | US | claimed |
| CN-112010744-A | Farnesyl acetone and preparation method thereof | 武汉臻智生物科技有限公司 | 2020-12-01 | — | — | CN | disclosed |
| CN-111892604-A | Novel preparation method and application of imide molecular material of polycyclic aromatic hydrocarbon | 中国科学院化学研究所 | 2020-11-06 | — | — | CN | disclosed |
| US-5563290-A | Method for preparing optically active succinic acid compound | NIPPON OIL CO. LTD. (JP) | 1996-10-08 | — | — | US | disclosed |
| EP-0663382-A1 | Process for preparing optically active succinic acid compound | NIPPON OIL CO. LTD. (JP) | 1995-07-19 | — | — | EP | disclosed |