⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28775457 | 0.97 | FFAR3 (0.39) | — | |
| SCHEMBL1803732 | 0.84 | — | — | |
| SCHEMBL29064899 | 0.81 | FFAR3 (0.38) | — | |
| SCHEMBL4031782 | 0.81 | — | — | |
| SCHEMBL26617402 | 0.74 | — | — | |
| SCHEMBL7536760 | 0.74 | — | — | |
| SCHEMBL13253149 | 0.72 | CRBN (0.33) | — | |
| Acetic Acid SCHEMBL27696979 | 0.71 | FFAR3 (0.41) | — | |
| Isobutyraldehyde SCHEMBL1486192 | 0.67 | — | — | |
| Acetic Acid SCHEMBL10940719 | 0.66 | FFAR3 (0.64) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-114728154-A | Silk fibroin-based microneedles and uses thereof | 瓦克塞斯技术公司 | 2022-07-08 | — | — | CN | disclosed |
| EP-2499148-B1 | CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS | POLYPHOR AG (CH) | 2017-01-18 | — | — | EP | disclosed |
| US-9512139-B2 | Conformationally constrained, fully synthetic macrocyclic compounds | POLYPHOR AG (CH) | 2016-12-06 | — | — | US | disclosed |
| US-20120270881-A1 | CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS | POLYPHOR AG (CH) | 2012-10-25 | — | — | US | disclosed |
| EP-2499148-A2 | CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS | Polyphor Ag (CH) | 2012-09-19 | — | — | EP | disclosed |
| WO-2011014973-A2 | CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS | POLYPHOR AG (CH) | 2011-02-10 | — | — | WO | disclosed |
| EP-1385814-A4 | ENANTIOMERICALLY SELECTIVE CYCLOPROPANATION | UNIV ADELAIDE (AU) | 2006-01-11 | — | — | EP | disclosed |
| US-20050054877-A1 | Enantiomerically selective cyclopropanation | TAYLOR DENNIS (AU) | 2005-03-10 | — | — | US | disclosed |
| EP-1385814-A1 | ENANTIOMERICALLY SELECTIVE CYCLOPROPANATION | The University of Adelaide (AU) | 2004-02-04 | — | — | EP | disclosed |
| WO-2003031425-A1 | DIASTEREOMERICALLY OR ENANTIOMERICALLY SELECTIVE LACTONISATION | ADELAIDE RESEARCH AND INNOVATION PTY. LTD. (AU) | 2003-04-17 | — | — | WO | disclosed |
| WO-2002079136-A1 | ENANTIOMERICALLY SELECTIVE CYCLOPROPANATION | THE UNIVERSITY OF ADELAIDE (AU) | 2002-10-10 | — | — | WO | disclosed |