SCHEMBL28034706

SCHEMBL28034706

CC(C)[C@@H]1CC[C@@](C)(C(=O)Cl)C[C@H]1O

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.39
TRPM8 Q7Z2W7 2/20 0.39
EPHX1 P07099 1/20 0.31
FFAR3 O14843 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL7978197 0.84 FFAR3 (0.45) TRPA1TRPM8FFAR3
SCHEMBL7978202 0.84 FFAR3 (0.45) TRPA1TRPM8FFAR3
SCHEMBL28095105 0.84 TRPA1 (0.36) TRPA1TRPM8FFAR3
SCHEMBL305655 0.83 TRPA1 (0.35) TRPA1TRPM8EPHX1FFAR3
SCHEMBL305654 0.83 TRPA1 (0.35) TRPA1TRPM8EPHX1FFAR3
SCHEMBL30034418 0.81 TRPA1 (0.34) TRPA1TRPM8
Potassium Ion SCHEMBL29504220 0.81 TRPA1 (0.34) TRPA1TRPM8
SCHEMBL29990852 0.81 TRPA1 (0.34) TRPA1TRPM8
SCHEMBL30185795 0.81 TRPA1 (0.34) TRPA1TRPM8
SCHEMBL11288600 0.80 EPHX1 (0.30) EPHX1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119080629-A Menthol amide cooling agent WS-5 and preparation method thereof 辽宁友之泰医药科技有限公司 2024-12-06 CN disclosed
CN-118930513-A Coolant and preparation method and application thereof 绵阳市斯麦尔顾生物科技有限公司 2024-11-12 CN disclosed
CN-111704620-B [3,2' ] -pyrrolidine chiral spiro oxindole skeleton compound, and preparation method and application thereof 中国科学院成都有机化学有限公司 2023-05-23 CN disclosed
CN-111704620-A High-optical-purity [3, 2' ] -pyrrolidine chiral spiro-oxoindole skeleton compound, and preparation method and application thereof 中国科学院成都有机化学有限公司 2020-09-25 CN disclosed
CN-104926806-B Method for synthesizing lamivudine intermediate 上海创诺制药有限公司 2020-03-24 CN disclosed
CN-104926806-A Synthetic method of lamivudine intermediate SHANGHAI ACEBRIGHT PHARMACEUTICAL CO LTD 2015-09-23 CN disclosed