SCHEMBL28459693

SCHEMBL28459693

CC(C)(C)CC(C)(C)c1cc(Nc2ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)c(O)c(-n2nccn2)c1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.33
MDH1 P40925 1/20 0.31
MDH2 P40926 1/20 0.31
SHBG P04278 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
SCHEMBL20337191 0.88 NPC1 (0.32) IDH1
SCHEMBL20337144 0.75 ACP1 (0.35)
SCHEMBL29561307 0.75 ACP1 (0.35)
SCHEMBL20349986 0.71 NPC1 (0.39) IDH1SHBG
SCHEMBL29895632 0.69 PIK3CG (0.36) IDH1MDH1MDH2
SCHEMBL18375770 0.69 PIK3CG (0.36) IDH1MDH1MDH2
SCHEMBL29895932 0.68 NPC1 (0.42) IDH1SHBG
SCHEMBL18375844 0.68 NPC1 (0.42) IDH1SHBG
SCHEMBL21313279 0.68 CYP3A4 (0.47) IDH1MDH1MDH2SHBG
SCHEMBL28467025 0.65 ACLY (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108026327-B Polymer matrix with ionic additives 3M创新有限公司 2022-07-05 CN disclosed
EP-3319947-B1 SUBSTITUTED BENZOTRIAZOLE PHENOLS 3M INNOVATIVE PROPERTIES CO (US) 2022-05-04 EP disclosed
CN-108026054-B Substituted benzotriazolols 3M创新有限公司 2021-10-15 CN disclosed
CN-107849449-B Substituted benzotriazole phenolates and antioxidant compositions formed therefrom 3M创新有限公司 2020-12-29 CN disclosed
CN-108026679-B Electret webs with charge-enhancing additives 3M创新有限公司 2020-10-16 CN disclosed