⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12391177 | 1.00 | — | — | |
| SCHEMBL505745 | 1.00 | — | — | |
| SCHEMBL5868295 | 0.87 | TSHR (0.34) | — | |
| Carbamic Acid SCHEMBL28608634 | 0.86 | GRIK1 (0.38) | — | |
| SCHEMBL347521 | 0.81 | — | — | |
| SCHEMBL336165 | 0.78 | — | — | |
| SCHEMBL15341510 | 0.78 | — | — | |
| SCHEMBL7712060 | 0.78 | — | — | |
| SCHEMBL22367004 | 0.78 | TSHR (0.33) | — | |
| SCHEMBL7712059 | 0.78 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108359626-A | It a kind of engineering bacteria and its is preparing（R）Application in -3- hydroxyl -5- hexene acid esters | 复旦大学 | 2018-08-03 | — | — | CN | disclosed |
| US-8513452-B1 | Brønsted acid-catalyzed asymmetric allylation and propargylation of aldehydes | UNIVERSITY OF SOUTH FLORIDA (US) | 2013-08-20 | — | — | US | disclosed |
| US-7534905-B2 | Reagents for asymmetric allylation, aldol, and tandem aldol and allyation reactions | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2009-05-19 | — | — | US | disclosed |