⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7705764 | 0.78 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL744169 | 0.69 | — | — | |
| SCHEMBL3055970 | 0.69 | — | — | |
| SCHEMBL8034630 | 0.69 | — | — | |
| SCHEMBL28824836 | 0.67 | — | — | |
| SCHEMBL10766738 | 0.67 | — | — | |
| SCHEMBL6514589 | 0.67 | — | — | |
| SCHEMBL7089722 | 0.67 | — | — | |
| SCHEMBL4620545 | 0.67 | — | — | |
| SCHEMBL10637203 | 0.65 | SMN1; SMN2 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-114057558-B | Synthesis method, catalytic system and application of 3, 5-trimethylhexanal | 上海簇睿低碳能源技术有限公司 | 2024-01-30 | — | — | CN | disclosed |
| WO-2015121379-A2 | METHODS OF IMPROVING PRODUCTION OF VANILLIN | EVOLVA SA (CH) | 2015-08-20 | — | — | WO | disclosed |
| EP-1458729-A1 | (ARYL) (AMINO) BORANE COMPOUNDS, METHOD FOR PREPARING SAME | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 2004-09-22 | — | — | EP | disclosed |
| WO-2003053981-A1 | (ARYL) (AMINO) BORANE COMPOUNDS, METHOD FOR PREPARING SAME | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2003-07-03 | — | — | WO | disclosed |
| EP-1067942-A1 | HIGH-ENERGY CYCLODEXTRIN COMPLEXES | Cyclops, EHF. (IS) | 2001-01-17 | — | — | EP | disclosed |
| US-6051738-A | TELOMERIZING BUTADIENE WITH AMMONIA CONTAINING HYDROPHOBIC AND HYDROPHILIC PHASES IN THE PRESENCE OF PALLADIUM COMPLEX CATALYST; ISOLATING OCTA-2,7-DIENYL-1-AMINE AND OCTA-1,7-DIENYL-3-AMINE AND ISOMERIZING | BAYER AKTIENGESELLSCHAFT (DE) | 2000-04-18 | — | — | US | disclosed |
| WO-1999042111-A1 | HIGH-ENERGY CYCLODEXTRIN COMPLEXES | CYCLOPS, EHF. (IS) | 1999-08-26 | — | — | WO | disclosed |
| US-5459254-A | Reversing the order of the amination and alkynylation steps | YAMASA SHOYU KABUSHIKI KAISHA (JP) | 1995-10-17 | — | — | US | disclosed |
| US-5283327-A | Synthetic intermediate for 2-alkynyladenosine; storage stability | YAMASA SHOYU KABUSHIKI KAISHA (JP) | 1994-02-01 | — | — | US | disclosed |