⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL897485 | 0.84 | — | — | |
| SCHEMBL2589777 | 0.84 | — | — | |
| SCHEMBL31194 | 0.84 | — | — | |
| SCHEMBL16280840 | 0.84 | — | — | |
| SCHEMBL7516446 | 0.84 | — | — | |
| SCHEMBL29093226 | 0.84 | — | — | |
| SCHEMBL13900281 | 0.84 | — | — | |
| SCHEMBL429701 | 0.84 | — | — | |
| SCHEMBL3097066 | 0.84 | — | — | |
| SCHEMBL13317542 | 0.81 | TSHR (0.44) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116209420-A | Oral care antimicrobial compositions, methods of making and methods of using the same | ISP投资有限公司 | 2023-06-02 | — | — | CN | disclosed |
| CN-116096362-A | Antimicrobial compositions, methods of making and methods of using the same | ISP投资有限公司 | 2023-05-09 | — | — | CN | disclosed |
| CN-109580789-A | A kind of method of the liquid chromatography for separating and determining Rosuvastatin tert-butyl ester and its optical isomer | 安徽省庆云医药股份有限公司 | 2019-04-05 | — | — | CN | disclosed |
| CN-104028308-A | Nanometer photo-catalyst used in producing hydrogen by decomposing water under visible light response and application of nanometer photo-catalyst | XINJIANG TECH INST PHYSICS CAS | 2014-09-10 | — | — | CN | disclosed |
| CN-103421442-A | Moisture-proof material | NITTO DENKO CORP | 2013-12-04 | — | — | CN | disclosed |
| CN-102965042-A | Moisture-proof material | NITTO DENKO CORP | 2013-03-13 | — | — | CN | disclosed |
| CN-1942448-A | Novel imidazoles | WARNER LAMBERT CO (US) | 2007-04-04 | — | — | CN | disclosed |
| JP-2003082031-A | COPOLYMER AND SCRATCHING-RESISTANT COATING COMPOSITION USING THE POLYMER | KANSAI PAINT CO LTD | 2003-03-19 | — | — | JP | disclosed |