SCHEMBL28564804

SCHEMBL28564804

CC1CCC(C(C)C)CC1.[NaH]

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.37
TRPM8 Q7Z2W7 2/20 0.37
EPHX1 P07099 1/20 0.31

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
SCHEMBL1760669 0.97 TRPA1 (0.39) TRPA1TRPM8EPHX1
SCHEMBL452781 0.97 TRPA1 (0.39) TRPA1TRPM8EPHX1
SCHEMBL7979 0.97 TRPA1 (0.39) TRPA1TRPM8EPHX1
Ammonia Solution, Strong SCHEMBL5944185 0.94 TRPA1 (0.37) TRPA1TRPM8EPHX1
Water SCHEMBL2851760 0.94 TRPA1 (0.37) TRPA1TRPM8EPHX1
SCHEMBL38654752 0.94 TRPA1 (0.37) TRPA1TRPM8EPHX1
Charcoal, Activated SCHEMBL4530459 0.94 TRPA1 (0.37) TRPA1TRPM8EPHX1
Hydrochloric Acid SCHEMBL6863594 0.94 TRPA1 (0.37) TRPA1TRPM8EPHX1
Calcium SCHEMBL31756866 0.94 TRPA1 (0.37) TRPA1TRPM8EPHX1
Water SCHEMBL2771394 0.94 TRPA1 (0.37) TRPA1TRPM8EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112694488-B Synthesis method of L-type cefamandole nafate 苏州盛达药业有限公司 2022-04-22 CN disclosed
CN-112694488-A Synthesis method of L-type cefamandole nafate 苏州盛达药业有限公司 2021-04-23 CN disclosed