SCHEMBL9879415

SCHEMBL9879415

CN1C(C)(C)CC(O)CC1(C)C.O=C(O)CC(C(=O)O)C(CC(=O)O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
Tridecan-1-Ol SCHEMBL3410712 0.87 GPR84 (0.37) TDP1TSHRNFKB1CYP2C19
SCHEMBL4981232 0.81 TDP1 (0.30) TDP1
Succinic Acid SCHEMBL11609352 0.80 TSHR (0.36) TSHRNFKB1CYP2C19
SCHEMBL5774736 0.80 TDP1 (0.40) TDP1TSHRNFKB1CYP2C19
SCHEMBL9879100 0.78 TDP1 (0.48) TDP1TSHR
Acetic Acid SCHEMBL985160 0.78 TSHR (0.39) TSHRNFKB1CYP2C19
Glutarate SCHEMBL11828129 0.77 SLC22A6 (0.41) TDP1TSHRNFKB1CYP2C19
SCHEMBL2360934 0.77 TDP1 (0.36) TDP1
SCHEMBL31316992 0.76 TDP1 (0.36) TDP1TSHRNFKB1CYP2C19
Nitrilotriacetic Acid SCHEMBL987147 0.76 TSHR (0.37) TDP1TSHRNFKB1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020158293-A1 MOLDING MATERIAL COMPRISING CARBON FIBER-REINFORCED POLYCARBONATE RESIN COMPOSITION 帝人株式会社 2020-08-06 WO disclosed
US-5013774-A Imidized acrylics, tetramethylpiperidine stabilizer, weatherproofing MITSUBISHI RAYON COMPANY, LTD. (JP) 1991-05-07 US disclosed
EP-0332136-A2 Thermoplastic methacrylimide group-containing resin composition MITSUBISHI RAYON CO., LTD. (JP) 1989-09-13 EP disclosed