⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12095054 | 0.85 | — | — | |
| SCHEMBL11862457 | 0.82 | — | — | |
| SCHEMBL20526068 | 0.80 | ALDH1A1 (0.35) | — | |
| SCHEMBL4287454 | 0.77 | TSHR (0.38) | — | |
| SCHEMBL1405901 | 0.76 | — | — | |
| SCHEMBL8662153 | 0.76 | — | — | |
| SCHEMBL4876945 | 0.76 | — | — | |
| Propene SCHEMBL8728895 | 0.75 | TSHR (0.32) | — | |
| SCHEMBL20745799 | 0.72 | — | — | |
| SCHEMBL709728 | 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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2257513-B1 | METHOD FOR ISOMERIZING OLEFINICALLY UNSATURATED ALCOHOLS | BASF SE (DE) | 2011-08-17 | — | — | EP | disclosed |
| EP-2257513-A1 | METHOD FOR ISOMERIZING OLEFINICALLY UNSATURATED ALCOHOLS | BASF SE (DE) | 2010-12-08 | — | — | EP | disclosed |
| WO-2009106622-A1 | METHOD FOR ISOMERIZING OLEFINICALLY UNSATURATED ALCOHOLS | BASF SE (DE) | 2009-09-03 | — | — | WO | disclosed |
| EP-0841090-B1 | Process for production of 2-buten-1-ol compounds | BASF SE (DE) | 2008-05-14 | — | — | EP | disclosed |
| US-6278031-B1 | ISOMERIZING A 3-BUTEN-1-OL COMPOUND IN PRESENCE OF HYDROGEN AND FIXED BED ISOMERIZATION CATALYST COMPRISING PALLADIUM, SELENIUM OR TELLURIUM OR MIXTURE OF SELENIUM AND TELLURIUM ON SILICON DIOXIDE SUPPORT TO FORM 2-BUTEN-1-OL COMPOUND | BASF AKTIENGESELLSCHAFT (DE) | 2001-08-21 | — | — | US | disclosed |
| EP-0841090-A2 | Catalyst and process for production of 2-buten-1-ol compounds | BASF AKTIENGESELLSCHAFT (DE) | 1998-05-13 | — | — | EP | disclosed |
| US-4310709-A | SELENIUM OR TELLURIUM MODIFIED PALLADIUM CATALYST | BASF AKTIENGESELLSCHAFT (DE) | 1982-01-12 | — | — | US | disclosed |
| EP-0002027-B1 | PROCESS FOR THE PREPARATION OF 2-BUTENE-1-OL COMPOUNDS BY ISOMERIZATION OF THE CORRESPONDING 3-BUTENE-1-OL COMPOUNDS | BASF Aktiengesellschaft (DE) | 1980-07-23 | — | — | EP | disclosed |
| EP-0002027-A1 | Process for the preparation of 2-butene-1-ol compounds by isomerization of the corresponding 3-butene-1-ol compounds | BASF Aktiengesellschaft (DE) | 1979-05-30 | — | — | EP | disclosed |