⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3458090 | 0.93 | EPHX2 (0.31) | — | |
| SCHEMBL317669 | 0.76 | GAA (0.32) | — | |
| SCHEMBL10476914 | 0.75 | GAA (0.31) | — | |
| SCHEMBL5708114 | 0.68 | CDC25A (0.34) | — | |
| SCHEMBL8459753 | 0.67 | GAA (0.36) | — | |
| SCHEMBL10476913 | 0.66 | GAA (0.33) | — | |
| SCHEMBL7753303 | 0.65 | FAAH (0.45) | — | |
| SCHEMBL5070359 | 0.65 | LDHA (0.42) | — | |
| SCHEMBL7191030 | 0.65 | CYP1A2 (0.34) | — | |
| SCHEMBL14053906 | 0.64 | TSHR (0.38) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1582250-B2 | Absorbent with improved oxidation resistance and process for deacidifying fluid fluxes | BASF SE (DE) | 2022-03-09 | — | — | EP | disclosed |
| US-7700264-B2 | Photosensitive resin composition, image forming material and image forming method using thereof | NIPPON PAINT CO., LTD. (JP) | 2010-04-20 | — | — | US | disclosed |
| US-7666813-B2 | an aliphatic amine, in particular an alkanolamine, and a non-hydroquinoid antioxidant for removal of CO2, H2S, SO2, CS2, HCN, COS, disulfides or mercaptans as impurities in reaction gases formed in the oxidation of organic materials to prevent the emission of above gases | BASF AKTIENGESELLSCHAFT (DE) | 2010-02-23 | — | — | US | disclosed |
| US-20050202967-A1 | an aliphatic amine, in particular an alkanolamine, and a non-hydroquinoid antioxidant for removal of CO2, H2S, SO2, CS2, HCN, COS, disulfides or mercaptans as impurities in reaction gases formed in the oxidation of organic materials to prevent the emission of above gases | BASF AKTIENGESELLSCHAFT (DE) | 2005-09-15 | — | — | US | disclosed |