⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22081103 | 0.97 | EPHX1 (0.41) | — | |
| SCHEMBL3805027 | 0.97 | EPHX1 (0.41) | — | |
| SCHEMBL13953119 | 0.97 | EPHX1 (0.41) | — | |
| SCHEMBL407297 | 0.97 | EPHX1 (0.41) | — | |
| Acetic Acid SCHEMBL27595094 | 0.89 | EPHX1 (0.40) | — | |
| SCHEMBL17670674 | 0.88 | — | — | |
| SCHEMBL24355253 | 0.77 | DPP4 (0.33) | — | |
| SCHEMBL24355538 | 0.77 | DPP4 (0.33) | — | |
| SCHEMBL13266401 | 0.77 | DPP4 (0.42) | — | |
| SCHEMBL24355214 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0759896-B1 | ALCOHOL PREPARATION PROCESS AND CATALYST | BASF AG (DE) | 2002-01-30 | — | — | EP | disclosed |
| US-6201160-B1 | COPPER IS APPLIED TO PREFABRICATED SILICON DIOXIDE CARRIER IN THE PRESENCE OR ABSENCE OF MAGNESIUM, BARIUM, ZINC OR CHROMIUM, WHEREIN THE CATALYST CONTAINS FROM 5 TO 50% BY WEIGHT COPPER; FOR PREPARATION OF ALCOHOLS FROM ALDEHYDES | BASF AKTIENGESELLSCHAFT (DE) | 2001-03-13 | — | — | US | disclosed |
| WO-2000023608-A1 | PREPARATION OF AMINO ALCOHOLS | DSM BIOTECH GMBH (DE) | 2000-04-27 | — | — | WO | disclosed |
| EP-0759896-A1 | ALCOHOL PREPARATION PROCESS | BASF AKTIENGESELLSCHAFT (DE) | 1997-03-05 | — | — | EP | disclosed |
| WO-1995032171-A1 | ALCOHOL PREPARATION PROCESS | BASF AKTIENGESELLSCHAFT (DE) | 1995-11-30 | — | — | WO | disclosed |