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SCHEMBL31316992

SCHEMBL31316992

CN1C(C)(C)CC(OC(=O)CC(C(=O)OC2CC(C)(C)N(C)C(C)(C)C2)C(CC(=O)O)C(=O)O)CC1(C)C

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.36
▸ CYP2D6 P10635 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TSHR P16473 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ CYP2C19 P33261 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
SCHEMBL5774736 0.95 TDP1 (0.40) TDP1CYP2D6LMNATSHRNFKB1
SCHEMBL30795 0.91 CYP2D6 (0.35) CYP2D6LMNATSHRNFKB1CYP2C19
SCHEMBL20113386 0.91 CYP2D6 (0.35) CYP2D6LMNATSHRNFKB1CYP2C19
SCHEMBL30644788 0.91 CYP2D6 (0.38) TDP1CYP2D6LMNATSHRNFKB1
SCHEMBL537285 0.85 MAPT (0.34) —
SCHEMBL23846261 0.85 GAA (0.38) CYP2D6LMNA
SCHEMBL18072166 0.85 GAA (0.38) CYP2D6LMNA
SCHEMBL13842572 0.85 CYP2D6 (0.33) CYP2D6LMNA
SCHEMBL14274507 0.85 CYP2D6 (0.33) CYP2D6LMNATSHR
SCHEMBL14142979 0.84 CYP2D6 (0.36) CYP2D6LMNATSHRNFKB1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025013891-A1 RESIN COMPOSITION, MOLDED ARTICLE, RESIN ADDITIVE COMPOSITION, METHOD FOR PRODUCING RESIN COMPOSITION, METHOD FOR IMPROVING CRYSTALLINITY OF CRYSTALLINE RESIN, AND MATERIAL FOR RESIN ADDITIVE COMPOSITION 株式会社ADEKA 2025-01-16 — — WO disclosed