SCHEMBL30003749

SCHEMBL30003749

CC(C)(C)c1ccccc1OC#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.41
ATM Q13315 1/20 0.41
ALDH1A1 P00352 6/20 0.40
TSHR P16473 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 3/20 0.38
GAA P10253 2/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
MAPT P10636 2/20 0.37
NISCH Q9Y2I1 1/20 0.37
CA2 P00918 1/20 0.37
BCHE P06276 1/20 0.36
NPSR1 Q6W5P4 3/20 0.36
HTT P42858 2/20 0.36
NAMPT P43490 1/20 0.36

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
SCHEMBL3826953 1.00 TDP1 (0.41) TDP1ATMALDH1A1TSHRCYP1A2
SCHEMBL5586106 0.88 SGMS2 (0.36) TDP1ATMALDH1A1TSHRCYP1A2
SCHEMBL27228587 0.88 SGMS2 (0.36) TDP1ATMALDH1A1TSHRCYP1A2
SCHEMBL23674233 0.81 SGMS2 (0.33) CYP1A2CYP2D6CYP2C19HSD17B10SGMS2
SCHEMBL4531219 0.81 ALDH1A1 (0.37) TDP1ATMALDH1A1TSHRCYP2D6
SCHEMBL8975598 0.81 TDP1 (0.42) TDP1ATMALDH1A1TSHRCYP1A2
SCHEMBL6874916 0.79 TDP1 (0.41) TDP1ATMALDH1A1TSHRCYP1A2
SCHEMBL3636639 0.79 TDP1 (0.45) TDP1ATMALDH1A1TSHRCYP1A2
SCHEMBL10885202 0.79 TSHR (0.36) TSHR
SCHEMBL17914533 0.79 AR (0.40) RXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4698582-A1 CURABLE ORGANOSILOXANE-MODIFIED REACTION RESINS Wacker Chemie AG (DE) 2026-02-25 EP disclosed
WO-2025031588-A1 CURABLE ORGANOSILOXANE-MODIFIED REACTION RESINS WACKER CHEMIE AG (DE) 2025-02-13 WO disclosed
WO-2024217692-A1 CURABLE ORGANOSILOXANE-MODIFIED REACTION RESINS WACKER CHEMIE AG (DE) 2024-10-24 WO disclosed
WO-2024213237-A1 CURABLE ORGANOSILOXANE-MODIFIED REACTION RESINS WACKER CHEMIE AG (DE) 2024-10-17 WO disclosed
EP-4347702-A1 CROSS-LINKABLE ORGANOSILOXANE-MODIFIED REACTION RESINS Wacker Chemie AG (DE) 2024-04-10 EP disclosed
EP-4153658-B1 CROSS-LINKABLE ORGANOSILOXANE-MODIFIED REACTION RESINS WACKER CHEMIE AG (DE) 2023-12-06 EP disclosed
EP-4153658-A1 CROSS-LINKABLE ORGANOSILOXANE-MODIFIED REACTION RESINS Wacker Chemie AG (DE) 2023-03-29 EP disclosed
WO-2022253413-A1 CROSS-LINKABLE ORGANOSILOXANE-MODIFIED REACTION RESINS WACKER CHEMIE AG (DE) 2022-12-08 WO disclosed