⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL252925 | 0.84 | HTT (0.35) | — | |
| SCHEMBL11139723 | 0.83 | — | — | |
| Ethylene SCHEMBL9240042 | 0.81 | HTT (0.34) | — | |
| SCHEMBL183172 | 0.78 | HTT (0.31) | — | |
| SCHEMBL21811862 | 0.77 | — | — | |
| SCHEMBL10749911 | 0.77 | ALDH1A1 (0.34) | — | |
| Acrylic Acid SCHEMBL25409274 | 0.75 | LMNA (0.50) | — | |
| SCHEMBL462526 | 0.75 | ALDH1A1 (0.40) | — | |
| Acetic Acid SCHEMBL775872 | 0.75 | FFAR3 (0.35) | — | |
| SCHEMBL2388068 | 0.75 | MAPT (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0292230-B1 | PHENYLACETIC ACID DERIVATIVES AND THEIR USE IN THE PREPARATION OF CEPHALOSPORIN ANTIBIOTICS | AJINOMOTO CO., INC. (JP) | 1992-01-22 | — | — | EP | claimed |
| EP-0292230-A2 | Phenylacetic acid derivatives and their use in the preparation of cephalosporin antibiotics | AJINOMOTO CO., INC. (JP) | 1988-11-23 | — | — | EP | claimed |
| US-7534785-B2 | e.g.1-{3-[5-(4-chlorophenyl)-2-oxo-6H-1,3,4-thiadiazin-3-ylmethyl]phenyl}-3-(1-methylpyrrolidin-3-ylmethyl)urea; inhibitors of tyrosine kinases, in particular Met kinase; antitumor, antiinflammatory agent | MERCK PATENT GESELLSCHAFT (DE) | 2009-05-19 | — | — | US | disclosed |
| US-20080306052-A1 | 3, 6-Dihydro-2-Oxo-6H-1,3,4,-Thiadiazine Derivatives | MERCK PATENT GESELLSCHAFT (DE) | 2008-12-11 | — | — | US | disclosed |
| EP-0292230-B1 | PHENYLACETIC ACID DERIVATIVES AND THEIR USE IN THE PREPARATION OF CEPHALOSPORIN ANTIBIOTICS | AJINOMOTO CO., INC. (JP) | 1992-01-22 | — | — | EP | disclosed |
| EP-0292230-A2 | Phenylacetic acid derivatives and their use in the preparation of cephalosporin antibiotics | AJINOMOTO CO., INC. (JP) | 1988-11-23 | — | — | EP | disclosed |