⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1759112 | 1.00 | — | — | |
| SCHEMBL31275102 | 0.95 | TSHR (0.52) | — | |
| SCHEMBL21594794 | 0.95 | TSHR (0.52) | — | |
| SCHEMBL23706440 | 0.95 | TSHR (0.52) | — | |
| SCHEMBL3084656 | 0.95 | TSHR (0.52) | — | |
| SCHEMBL2401509 | 0.90 | TSHR (0.63) | — | |
| SCHEMBL9188658 | 0.90 | TSHR (0.63) | — | |
| SCHEMBL2401513 | 0.90 | TSHR (0.63) | — | |
| SCHEMBL4888284 | 0.87 | TSHR (0.48) | — | |
| SCHEMBL4888294 | 0.87 | TSHR (0.48) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11684689-B2 | Solid polymeric material impregnated with a volatile organic substance and a specific ester and uses of same | JAFER ENTERPRISES R&D SL (ES) | 2023-06-27 | — | — | US | disclosed |
| US-20200338225-A1 | SOLID POLYMERIC MATERIAL IMPREGNATED WITH A VOLATILE ORGANIC SUBSTANCE AND A SPECIFIC ESTER AND USES OF SAME | JAFER ENTERPRISES R&D SL (ES) | 2020-10-29 | — | — | US | disclosed |
| US-8871967-B2 | Esters as perfuming ingredients | FIRMENICH SA (CH) | 2014-10-28 | — | — | US | disclosed |
| EP-2496548-B1 | Esters as perfuming ingredients | FIRMENICH & CIE (CH) | 2013-08-28 | — | — | EP | disclosed |
| EP-2496548-A1 | ESTERS AS PERFUMING INGREDIENTS | Firmenich S.A. (CH) | 2012-09-12 | — | — | EP | disclosed |
| US-20120195844-A1 | ESTERS AS PERFUMING INGREDIENTS | FIRMENICH SA (CH) | 2012-08-02 | — | — | US | disclosed |
| WO-2011055251-A1 | ESTERS AS PERFUMING INGREDIENTS | FIRMENICH SA (CH) | 2011-05-12 | — | — | WO | disclosed |
| US-4818442-A | Disproportionation process | PHILLIPS PETROLEUM COMPANY (US) | 1989-04-04 | — | — | US | disclosed |
| EP-0057736-B1 | OLEFIN DISPROPORTIONATION PROCESS AND CATALYST | PHILLIPS PETROLEUM COMPANY (US) | 1986-11-20 | — | — | EP | disclosed |
| EP-0057736-A1 | Olefin disproportionation process and catalyst | PHILLIPS PETROLEUM COMPANY (US) | 1982-08-18 | — | — | EP | disclosed |
| US-4331559-A | Olefin disproportionation | PHILLIPS PETROLEUM COMPANY (US) | 1982-05-25 | — | — | US | disclosed |
| US-4269780-A | CATALYSTS COMPRISING CARBENE METAL COMPLEXES AND METAL HALIDES AND OXYHALIDES AS ACTIVATORS; POLYMERIZATION INHIBITION | PHILLIPS PETROLEUM COMPANY (US) | 1981-05-26 | — | — | US | disclosed |