SCHEMBL30113067

SCHEMBL30113067

C=C(C)c1cccc(O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.52
CA2 P00918 3/20 0.52
CA9 Q16790 3/20 0.52
CA1 P00915 2/20 0.52
CA6 P23280 1/20 0.52
ALDH1A1 P00352 5/20 0.50
CYP3A4 P08684 3/20 0.50
CA14 Q9ULX7 2/20 0.50
LMNA P02545 1/20 0.50
CA5A P35218 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
PARP1 P09874 1/20 0.50
KDM4E B2RXH2 3/20 0.47
MAPT P10636 2/20 0.47
GAA P10253 1/20 0.47
EGLN2 Q96KS0 1/20 0.47
ACHE P22303 2/20 0.46
FASN P49327 1/20 0.44
CLK1 P49759 1/20 0.42

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
SCHEMBL206107 1.00 CA12 (0.52) CA12CA2CA9CA1CA6
SCHEMBL10537901 0.85 ESR1 (0.58) ALDH1A1CYP3A4PARP1MAPTTSHR
SCHEMBL167439 0.85 FURIN (0.43) LMNAMAPTTSHRTDP1
Resorcinol SCHEMBL28739992 0.83 CA12 (0.50) CA12CA2CA9CA1CA6
SCHEMBL6252421 0.82 FURIN (0.41) ALDH1A1LMNAKDM4EMAPTTSHR
SCHEMBL17421702 0.82 FURIN (0.41) ALDH1A1LMNAKDM4EMAPTTSHR
SCHEMBL30834584 0.82 FURIN (0.41) ALDH1A1LMNAKDM4EMAPTTSHR
SCHEMBL13339140 0.80 CA12 (0.56) CA12CA2CA9CA1CA6
SCHEMBL2486233 0.80 CA12 (0.56) CA12CA2CA9CA1CA6
SCHEMBL2486236 0.80 CA12 (0.56) CA12CA2CA9CA1CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024258458-A1 HALOGENATED OLEFIN-CONTAINING POLYURETHANE FOAM-FORMING COMPOSITIONS, RELATED FOAMS AND METHODS FOR THEIR PRODUCTION COVESTRO LLC (US) 2024-12-19 WO claimed
WO-2024258458-A1 HALOGENATED OLEFIN-CONTAINING POLYURETHANE FOAM-FORMING COMPOSITIONS, RELATED FOAMS AND METHODS FOR THEIR PRODUCTION COVESTRO LLC (US) 2024-12-19 WO disclosed
WO-2024014329-A1 RESIST COMPOSITION AND RESIST FILM FORMING METHOD USING SAME 三菱瓦斯化学株式会社 2024-01-18 WO disclosed
WO-2024014330-A1 RESIST AUXILIARY FILM COMPOSITION, AND PATTERN FORMING METHOD USING SAME 三菱瓦斯化学株式会社 2024-01-18 WO disclosed
WO-2023008354-A1 RESIST COMPOSITION AND RESIST FILM FORMING METHOD USING SAME 三菱瓦斯化学株式会社 2023-02-02 WO disclosed
WO-2023008355-A1 RESIST AUXILIARY FILM COMPOSITION, AND PATTERN FORMING METHOD USING SAID COMPOSITION 三菱瓦斯化学株式会社 2023-02-02 WO disclosed