⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5986730 | 0.80 | ALDH1A1 (0.32) | — | |
| SCHEMBL12324920 | 0.80 | LMNA (0.32) | — | |
| SCHEMBL2423955 | 0.80 | LMNA (0.32) | — | |
| SCHEMBL4746000 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL2424054 | 0.76 | USP2 (0.31) | — | |
| SCHEMBL6655928 | 0.76 | — | — | |
| SCHEMBL2424052 | 0.76 | USP2 (0.31) | — | |
| SCHEMBL2424101 | 0.76 | USP2 (0.31) | — | |
| Hydrochloric Acid SCHEMBL11523697 | 0.74 | MEN1 (0.33) | — | |
| SCHEMBL11523689 | 0.74 | CCR2 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7169749-B1 | Aldol condensation carried out in an inert organic solvent, and reduction of the corresponding unsaturated aldehydes in the presence of copper/zinc catalysts, the process being carried out continuously under isothermal conditions in a narrow temperature range | KAO CORPORATION (JP) | 2007-01-30 | — | — | US | disclosed |
| EP-1212272-B1 | METHOD FOR PRODUCING ALKYL-SUBSTITUTED BUTENOLS | KAO CORP (JP) | 2003-12-10 | — | — | EP | disclosed |
| EP-1212272-A1 | METHOD FOR PRODUCING ALKYL-SUBSTITUTED BUTENOLS | Cognis Deutschland GmbH & Co. KG (DE) | 2002-06-12 | — | — | EP | disclosed |
| WO-2001021568-A1 | METHOD FOR PRODUCING ALKYL-SUBSTITUTED BUTENOLS | COGNIS DEUTSCHLAND GMBH & CO. KG (DE) | 2001-03-29 | — | — | WO | disclosed |