⚠ 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 SCHEMBL9456387 | 0.88 | ALDH1A1 (0.58) | — | |
| Ethyl Pyruvate SCHEMBL28039252 | 0.85 | GLO1 (0.58) | — | |
| SCHEMBL7262 | 0.83 | ALDH1A1 (0.62) | — | |
| SCHEMBL9823358 | 0.83 | ALDH1A1 (0.62) | — | |
| SCHEMBL1331989 | 0.83 | ALDH1A1 (0.62) | — | |
| Acetone SCHEMBL7709105 | 0.82 | ALDH1A1 (0.52) | — | |
| Acetic Acid SCHEMBL444058 | 0.82 | ALDH1A1 (0.52) | — | |
| Ethyl Pyruvate SCHEMBL30670387 | 0.82 | GLO1 (0.56) | — | |
| SCHEMBL2128139 | 0.81 | — | — | |
| SCHEMBL5496037 | 0.81 | ALDH1A1 (0.53) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090062497-A1 | Borate Salts, Method for the Production Thereof and Use Thereof | CHEMETALL GMBH (DE) | 2009-03-05 | — | — | US | claimed |
| CN-101394742-A | Anthranilamide derivatives and their use for the control of insects and acari | SYNGENTA PARTICIPATIONS AG (CH) | 2009-03-25 | — | — | CN | disclosed |
| US-20090062497-A1 | Borate Salts, Method for the Production Thereof and Use Thereof | CHEMETALL GMBH (DE) | 2009-03-05 | — | — | US | disclosed |