⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5574458 | 1.00 | — | — | |
| SCHEMBL14772223 | 1.00 | — | — | |
| SCHEMBL13964324 | 0.80 | — | — | |
| SCHEMBL12656105 | 0.78 | — | — | |
| SCHEMBL17905872 | 0.77 | — | — | |
| SCHEMBL621802 | 0.77 | — | — | |
| SCHEMBL621801 | 0.77 | — | — | |
| SCHEMBL28363364 | 0.73 | — | — | |
| SCHEMBL7130944 | 0.73 | — | — | |
| SCHEMBL18034743 | 0.71 | — | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116589526-A | Modified rubber based on polypeptide, and preparation method and application thereof | 中国科学院长春应用化学研究所 | 2023-08-15 | — | — | CN | claimed |
| CN-103254069-A | Preparation method for trans, trans-2,4-hexadiene acetate | SHANDONG PESTICIDE RES INST | 2013-08-21 | — | — | CN | claimed |
| CN-116655455-B | Method for synthesizing phyllitol | 天津大学 | 2025-04-04 | — | — | CN | disclosed |
| CN-116655455-A | Method for synthesizing phyllitol | 天津大学 | 2023-08-29 | — | — | CN | disclosed |
| CN-116589526-A | Modified rubber based on polypeptide, and preparation method and application thereof | 中国科学院长春应用化学研究所 | 2023-08-15 | — | — | CN | disclosed |
| CN-104592019-B | The method for preparing (E) -2- isopropyl -5- methyl -2,4- hexadienyl acetic acid esters | 信越化学工业株式会社 | 2019-01-25 | — | — | CN | disclosed |
| CN-104592019-B | The method for preparing (E) -2- isopropyl -5- methyl -2,4- hexadienyl acetic acid esters | 信越化学工业株式会社 | 2019-01-25 | — | — | CN | disclosed |
| CN-105175261-A | Method for performing acetylation by means of acetic anhydride | SHANDONG NHU PHARMACEUTICAL CO LTD | 2015-12-23 | — | — | CN | disclosed |
| CN-104592019-A | METHOD FOR PRODUCING (E)-2-ISOPROPYL-5-METHYL-2,4-HEXADIENYL ACETATE | SHINETSU CHEMICAL CO | 2015-05-06 | — | — | CN | disclosed |
| CN-103254069-A | Preparation method for trans, trans-2,4-hexadiene acetate | SHANDONG PESTICIDE RES INST | 2013-08-21 | — | — | CN | disclosed |
| CN-101641310-B | 1,4-hydrogenation of dienes with ru complexes | FIRMENICH & CIE | 2013-07-24 | — | — | CN | disclosed |
| CN-101888782-A | Process for recovering volatile tea compounds | UNILEVER NV | 2010-11-17 | — | — | CN | disclosed |
| CN-101641310-A | ,4-hydrogenation of dienes with ru complexes | FIRMENICH & CIE CH | 2010-02-03 | — | — | CN | disclosed |
| EP-1827370-A1 | HAIR PROCESSING AGENT AND METHOD FOR PERMANENT WAVING HAIR | Showa Denko K.K. (JP) | 2007-09-05 | — | — | EP | disclosed |
| WO-2006068276-A1 | HAIR PROCESSING AGENT AND METHOD FOR PERMANENT WAVING HAIR | SHOWA DENKO K.K. (JP) | 2006-06-29 | — | — | WO | disclosed |