⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9136373 | 1.00 | — | — | |
| SCHEMBL17996661 | 1.00 | — | — | |
| SCHEMBL13618146 | 0.91 | ALDH1A1 (0.37) | — | |
| SCHEMBL6706485 | 0.81 | — | — | |
| SCHEMBL869080 | 0.80 | TSHR (0.53) | — | |
| SCHEMBL869082 | 0.80 | TSHR (0.53) | — | |
| SCHEMBL821076 | 0.80 | TSHR (0.53) | — | |
| SCHEMBL28811213 | 0.79 | — | — | |
| SCHEMBL5347391 | 0.78 | GAA (0.44) | — | |
| SCHEMBL5347392 | 0.78 | GAA (0.44) | — |
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-106467464-A | (E) 2 isopropyl 5 methyl 3,5 hexadienoic acid ester compounds and its production method and produce (E) 2 isopropyl 5 methyl 3 using it, 5 hexadienols and the method for (E) 2 isopropyl 5 methyl 3,5 hexadienyl carboxylate | 信越化学工业株式会社 | 2017-03-01 | — | — | CN | disclosed |
| CN-106467464-A | (E) 2 isopropyl 5 methyl 3,5 hexadienoic acid ester compounds and its production method and produce (E) 2 isopropyl 5 methyl 3 using it, 5 hexadienols and the method for (E) 2 isopropyl 5 methyl 3,5 hexadienyl carboxylate | 信越化学工业株式会社 | 2017-03-01 | — | — | CN | disclosed |
| CN-106467464-A | (E) 2 isopropyl 5 methyl 3,5 hexadienoic acid ester compounds and its production method and produce (E) 2 isopropyl 5 methyl 3 using it, 5 hexadienols and the method for (E) 2 isopropyl 5 methyl 3,5 hexadienyl carboxylate | 信越化学工业株式会社 | 2017-03-01 | — | — | CN | disclosed |
| US-5464796-A | Bactericides and feed additives | BAYER AKTIENGESELLSCHAFT (DE) | 1995-11-07 | — | — | US | disclosed |
| US-5457104-A | Antibacterials | BAYER AKTIENGESELLSCHAFT (DE) | 1995-10-10 | — | — | US | disclosed |
| CN-1068115-A | 7-iso-dihydro-indole-group-quinolone and-1,4 dihydros-1,8 naphthyridine-4-keto carboxylic acid derivatives | BAYER AG (DE) | 1993-01-20 | — | — | CN | disclosed |
| US-3912739-A | Aza-hydroxy-benzanthrone | MONTEDISON SPA | 1975-10-14 | — | — | US | disclosed |