⚠ 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 | |
|---|---|---|---|---|
| Acetic Acid Methyl Ester SCHEMBL3080739 | 0.95 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL3650 | 0.95 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL28296965 | 0.95 | ALDH1A1 (1.00) | — | |
| Acetic Acid Methyl Ester SCHEMBL8322448 | 0.95 | ALDH1A1 (1.00) | — | |
| Acetic Acid Methyl Ester SCHEMBL23092253 | 0.91 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL147887 | 0.91 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL2992111 | 0.91 | ALDH1A1 (0.91) | — | |
| Acetic Acid Methyl Ester SCHEMBL21591845 | 0.91 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL6749899 | 0.91 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL5860433 | 0.91 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108794569-A | Natural products Symplostatin4 derivatives and its application in preparing anticancer stem cell drugs | 南开大学 | 2018-11-13 | — | — | CN | disclosed |
| CN-102575089-B | Polyester resin composition, polyester fiber, polyester resin molded article, and method for producing crystal nucleating agent for polyester resin | 株式会社ADEKA | 2017-09-26 | — | — | CN | disclosed |
| CN-104603127-A | Complement pathway modulators and uses thereof | NOVARTIS AG | 2015-05-06 | — | — | CN | disclosed |
| CN-1332743-A | Cell adhesion-inhibiting antinflammatory compounds | ABBOTT CO (US) | 2002-01-23 | — | — | CN | disclosed |
| US-4883572-A | CATIONIC RESINS, BLENDS | THE DOW CHEMICAL COMPANY (US) | 1989-11-28 | — | — | US | disclosed |