⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3511796 | 0.83 | DNM1 (0.42) | — | |
| SCHEMBL5586240 | 0.83 | DNM1 (0.42) | — | |
| SCHEMBL5586257 | 0.83 | DNM1 (0.42) | — | |
| SCHEMBL5586243 | 0.81 | — | — | |
| SCHEMBL819370 | 0.79 | TSHR (0.30) | — | |
| SCHEMBL820002 | 0.78 | TSHR (0.33) | — | |
| SCHEMBL22996729 | 0.76 | — | — | |
| SCHEMBL30619942 | 0.75 | — | — | |
| SCHEMBL21874813 | 0.72 | TSHR (0.30) | — | |
| SCHEMBL632732 | 0.72 | — | — |
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-109689614-B | In the presence of a catalyst supported on ZrO 2 Method for hydrogenating nitriles in the presence of ruthenium catalysts | 巴斯夫欧洲公司 | 2023-02-17 | — | — | CN | disclosed |
| EP-1208070-A4 | DIOLEFIN/HYDROXYARYL CONDENSATES AND CATALYST THEREFOR | BORDEN CHEM INC (US) | 2003-10-15 | — | — | EP | disclosed |
| EP-1208070-A1 | DIOLEFIN/HYDROXYARYL CONDENSATES AND CATALYST THEREFOR | BORDEN CHEMICAL, INC. (US) | 2002-05-29 | — | — | EP | disclosed |
| US-6291723-B1 | Diolefin/hydroxyaryl condensates and catalyst therefor | BORDEN CHEMICAL, INC. | 2001-09-18 | — | — | US | disclosed |
| WO-2001016064-A1 | DIOLEFIN/HYDROXYARYL CONDENSATES AND CATALYST THEREFOR | BORDEN CHEMICAL, INC. (US) | 2001-03-08 | — | — | WO | disclosed |