⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9879658 | 1.00 | — | — | |
| SCHEMBL20942891 | 1.00 | — | — | |
| SCHEMBL9805751 | 0.78 | — | — | |
| SCHEMBL11650137 | 0.75 | — | — | |
| SCHEMBL11650139 | 0.75 | — | — | |
| SCHEMBL8605047 | 0.74 | ALDH1A1 (0.60) | — | |
| SCHEMBL18676231 | 0.74 | — | — | |
| SCHEMBL8605046 | 0.74 | ALDH1A1 (0.60) | — | |
| SCHEMBL254156 | 0.72 | TRPA1 (0.42) | — | |
| SCHEMBL16192692 | 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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0055354-B1 | PROCESS FOR THE CONTINUOUS PREPARATION OF 2-ALKYL-BUTEN-1-ALS | BASF Aktiengesellschaft (DE) | 1984-09-12 | — | — | EP | claimed |
| US-4440960-A | FROM CORRESPONDING ALCOHOLS BY OXIDATIVE DEHYDROGENATION | BASF AKTIENGESELLSCHAFT (DE) | 1984-04-03 | — | — | US | claimed |
| 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 |
| US-4440960-A | FROM CORRESPONDING ALCOHOLS BY OXIDATIVE DEHYDROGENATION | BASF AKTIENGESELLSCHAFT (DE) | 1984-04-03 | — | — | US | 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 |
| US-4165342-A | BY OXIDATIVE DEHYDROGENATION OF THE ALCOHOL, LAYERS OF SILVER AND COPPER CATALYST CRYSTALS | BASF AKTIENGESELLSCHAFT (DE) | 1979-08-21 | — | — | US | 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 |