⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5139910 | 0.87 | — | — | |
| SCHEMBL1529276 | 0.84 | — | — | |
| Bicarbonate SCHEMBL9717608 | 0.79 | LMNA (0.37) | — | |
| Urea SCHEMBL2440792 | 0.77 | ALDH1A1 (0.40) | — | |
| SCHEMBL27051143 | 0.72 | ABCC4 (0.40) | — | |
| SCHEMBL3093213 | 0.71 | — | — | |
| SCHEMBL29912724 | 0.71 | — | — | |
| SCHEMBL5412042 | 0.71 | — | — | |
| SCHEMBL3033034 | 0.69 | — | — | |
| SCHEMBL9440490 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4165342-A | BY OXIDATIVE DEHYDROGENATION OF THE ALCOHOL, LAYERS OF SILVER AND COPPER CATALYST CRYSTALS | BASF AKTIENGESELLSCHAFT (DE) | 1979-08-21 | — | — | US | claimed |
| EP-0055354-B1 | PROCESS FOR THE CONTINUOUS PREPARATION OF 2-ALKYL-BUTEN-1-ALS | BASF Aktiengesellschaft (DE) | 1984-09-12 | — | — | EP | disclosed |
| US-4440960-A | FROM CORRESPONDING ALCOHOLS BY OXIDATIVE DEHYDROGENATION | BASF AKTIENGESELLSCHAFT (DE) | 1984-04-03 | — | — | US | disclosed |
| EP-0055354-A1 | Process for the continuous preparation of 2-alkyl-buten-1-als | BASF Aktiengesellschaft (DE) | 1982-07-07 | — | — | EP | disclosed |
| US-4165342-A | BY OXIDATIVE DEHYDROGENATION OF THE ALCOHOL, LAYERS OF SILVER AND COPPER CATALYST CRYSTALS | BASF AKTIENGESELLSCHAFT (DE) | 1979-08-21 | — | — | US | disclosed |