⚠ 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 | |
|---|---|---|---|---|
| Hexane SCHEMBL27934566 | 0.94 | TSHR (0.65) | — | |
| Butyl Chloride SCHEMBL6165181 | 0.91 | — | — | |
| SCHEMBL28180393 | 0.88 | TSHR (0.67) | — | |
| Hexane SCHEMBL287327 | 0.88 | TSHR (0.47) | — | |
| Water SCHEMBL27295379 | 0.87 | — | — | |
| SCHEMBL28819359 | 0.87 | — | — | |
| Heptane SCHEMBL906776 | 0.85 | TSHR (0.53) | — | |
| SCHEMBL28036320 | 0.85 | TSHR (0.71) | — | |
| Water SCHEMBL8615611 | 0.84 | — | — | |
| Water SCHEMBL29190827 | 0.84 | TSHR (0.80) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105541963-A | Method for modifying protein with enoyl group | FOOD INSPECTION AND QUARANTINE CENTER OF SHENZHEN ENTRY-EXIT INSPECTION AND QUARANTINE BUREAU | 2016-05-04 | — | — | CN | claimed |
| CN-114805197-B | Fluorinated pyridine acyl urea insecticide and acaricide | 青岛科技大学 | 2023-07-11 | — | — | CN | disclosed |
| CN-113979887-A | Synthetic method of aromatic amine carboxylic acid derivative | 北京亦农生物科技有限公司 | 2022-01-28 | — | — | CN | disclosed |
| CN-109843891-A | Oxadiazolopyridine derivatives as ghrelin O-acyltransferase (GOAT) inhibitors | 勃林格殷格翰国际有限公司 | 2019-06-04 | — | — | CN | disclosed |
| CN-106749042-B | Sulfoamido pyrimidines, composition and purposes | 大连医科大学 | 2019-01-22 | — | — | CN | disclosed |
| CN-106749042-A | Sulfoamido pyrimidines, composition and purposes | 大连医科大学 | 2017-05-31 | — | — | CN | disclosed |
| CN-105017061-B | A kind of synthetic method of ENBREL card life | 苏州富士莱医药股份有限公司 | 2017-03-29 | — | — | CN | disclosed |
| CN-106376591-A | Fenpropathrin high-efficiency pesticide preparation method | 枣阳市先飞高科农药有限公司 | 2017-02-08 | — | — | CN | disclosed |
| CN-105541963-A | Method for modifying protein with enoyl group | FOOD INSPECTION AND QUARANTINE CENTER OF SHENZHEN ENTRY-EXIT INSPECTION AND QUARANTINE BUREAU | 2016-05-04 | — | — | CN | disclosed |
| CN-102675177-A | Preparation methods of blood fat lowering medicament and key intermediates of blood fat lowering medicament | Changzhou pharmaceutical factory co ltd | 2012-09-19 | — | — | CN | disclosed |
| CN-101709040-A | Method for preparing fenpropathrin | JIANGSU HUANGMA AGROCHEMICALS | 2010-05-19 | — | — | CN | disclosed |