⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8998602 | 1.00 | — | — | |
| SCHEMBL15524650 | 0.75 | — | — | |
| SCHEMBL21076313 | 0.75 | — | — | |
| SCHEMBL3685822 | 0.75 | — | — | |
| SCHEMBL3685823 | 0.75 | — | — | |
| SCHEMBL11452339 | 0.75 | — | — | |
| SCHEMBL14117807 | 0.75 | PTPN1 (0.32) | — | |
| SCHEMBL13947338 | 0.75 | PTPN1 (0.32) | — | |
| SCHEMBL10399841 | 0.73 | — | — | |
| SCHEMBL6589810 | 0.73 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4279568-A1 | THE USE OF A NON-CANONICAL TERPENES OR TERPENOIDS AS AROMA CHEMICALS | BASF SE (DE) | 2023-11-22 | — | — | EP | claimed |
| US-4021411-A | Production of high molecular weight α,β-unsaturated aldehydes | BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DT) | 1977-05-03 | — | — | US | claimed |
| EP-4279568-A1 | THE USE OF A NON-CANONICAL TERPENES OR TERPENOIDS AS AROMA CHEMICALS | BASF SE (DE) | 2023-11-22 | — | — | EP | disclosed |
| WO-2023006699-A1 | CELLS AND METHOD FOR PRODUCING ISOPRENOID MOLECULES WITH CANONICAL AND NON-CANONICAL STRUCTURES | Københavns Universitet (DK) | 2023-02-02 | — | — | WO | disclosed |
| EP-3425051-A1 | METHOD FOR THE PRODUCTION OF ISOPRENOIDS BY HETEROLOGOUS EXPRESSION OF A PROTEIN IN A MICROORGANISM | DECHEMA -Forschungsinstitut (DE) | 2019-01-09 | — | — | EP | disclosed |
| EP-0258967-B2 | Process for producing optically active alcohols | TAKASAGO PERFUMERY CO LTD (JP) | 1996-08-21 | — | — | EP | disclosed |
| US-4962242-A | HYDROGENATING OLEFINIC ALCOHOL USING AS CATALYST A RUTHENIUM-OPTICALLY ACTIVE PHOSPHINE COMPLEX | TAKASAGO PERFUMERY CO., LTD. (JP) | 1990-10-09 | — | — | US | disclosed |
| EP-0258967-A2 | Process for producing optically active alcohols | Takasago Perfumery Co., Ltd. (JP) | 1988-03-09 | — | — | EP | disclosed |
| US-4105697-A | Process for the preparation of α, β-ethylenic aldehydes | RHONE-POULENC INDUSTRIES (FR) | 1978-08-08 | — | — | US | disclosed |
| US-4058536-A | Production of high molecular weight α,β-unsaturated aldehydes | BASF AKTIENGESELLSCHAFT (DT) | 1977-11-15 | — | — | US | disclosed |
| US-4021411-A | Production of high molecular weight α,β-unsaturated aldehydes | BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DT) | 1977-05-03 | — | — | US | disclosed |
| US-3965193-A | Production of high molecular weight α,β-unsaturated aldehydes | BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DT) | 1976-06-22 | — | — | US | disclosed |
| US-3949007-A | METAL HYDROXIDE OR ALKOXIDE CATALYST | BAYER AKTIENGESELLSCHAFT (DT) | 1976-04-06 | — | — | US | disclosed |