⚠ 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 | |
|---|---|---|---|---|
| P-Xylene SCHEMBL2294575 | 1.00 | ACHE (0.89) | — | |
| P-Xylene SCHEMBL11772917 | 0.94 | ACHE (1.00) | — | |
| P-Xylene SCHEMBL771 | 0.94 | — | — | |
| P-Xylene SCHEMBL460348 | 0.94 | ACHE (1.00) | — | |
| P-Xylene SCHEMBL11770184 | 0.94 | ACHE (1.00) | — | |
| P-Xylene SCHEMBL1384709 | 0.89 | — | — | |
| P-Xylene SCHEMBL9117715 | 0.89 | ACHE (0.89) | — | |
| P-Xylene SCHEMBL20873607 | 0.89 | — | — | |
| P-Xylene SCHEMBL21270023 | 0.89 | — | — | |
| P-Xylene SCHEMBL2815587 | 0.89 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-107221603-B | A kind of undoped white organic light emitting device and preparation method thereof | 中山大学 | 2019-10-11 | — | — | CN | claimed |
| CN-115710296-A | Process for synthesizing sugar-containing amino acid compound by photocatalysis | 南京师范大学 | 2023-02-24 | — | — | CN | disclosed |
| CN-103764284-B | The alkoxycarbonylation method of the alkene of functionalization | 帝斯曼知识产权资产管理有限公司 | 2016-08-17 | — | — | CN | disclosed |
| CN-103058820-B | The preparation method of bromo-2, the 6-difluoro-benzotrifluorides of 4-and intermediate thereof | LIANHE CHEMICAL TECHNOLOGY CO., LTD. (CN) | 2015-08-26 | — | — | CN | disclosed |
| CN-1120856-C | Resin composition and use thereof | MITSUI CHEMICALS INC (JP) | 2003-09-10 | — | — | CN | disclosed |
| CN-1115358-C | Olefine hydrocarbon thermo plastic elastic body composition | MITSUI CHEMICALS INC (JP) | 2003-07-23 | — | — | CN | disclosed |
| CN-1100090-C | Olefinic thermoplastic elastomer composition | MITSUI CHEMICALS INC (JP) | 2003-01-29 | — | — | CN | disclosed |
| CN-1282754-A | Olefine hydrocarbon thermo plastic elastic body composition | MITSUI CHEMICALS INC (JP) | 2001-02-07 | — | — | CN | disclosed |
| CN-1165530-A | Resin composition and use thereof | MITSUI PETROCHEMICAL IND (JP) | 1997-11-19 | — | — | CN | disclosed |
| CN-1156728-A | Olefin polymerization catalyst, process for preparing olefin polymer, and olefin polymer | MITSUI PETROCHEMICAL IND (JP) | 1997-08-13 | — | — | CN | disclosed |
| CN-1141320-A | Polyamide resin composition | MITSUI PETROCHEMICAL IND (JP) | 1997-01-29 | — | — | CN | disclosed |
| CN-1140728-A | Olefinic thermoplastic elastomer composition | MITSUI PETROCHEMICAL IND (JP) | 1997-01-22 | — | — | CN | disclosed |