SCHEMBL800000

SCHEMBL800000

C=C(OCC)C(C)(C)CC

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
TSHR P16473 1/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ALOX15 P16050 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
SOAT1 P35610 1/20 0.31
FKBP1A P62942 2/20 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
SCHEMBL18700647 0.81 THRB (0.31)
SCHEMBL18367805 0.80
SCHEMBL17620031 0.80 ALOX15 (0.33) ALDH1A1CYP4F2CYP4A11TSHRALOX15
SCHEMBL18591092 0.78 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL9498044 0.78
SCHEMBL3149443 0.78 TSHR (0.32) ALDH1A1TSHR
SCHEMBL19023993 0.77
SCHEMBL12617791 0.77 HTT (0.35)
SCHEMBL12878806 0.77 TSHR (0.30) TSHR
SCHEMBL6923985 0.77 TSHR (0.42) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546062-B2 Self-forming top anti-reflective coating compositions and, photoresist mixtures and method of imaging using same INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2013-10-01 US disclosed
US-20120070782-A1 SELF-FORMING TOP ANTI-REFLECTIVE COATING COMPOSITIONS AND, PHOTORESIST MIXTURES AND METHOD OF IMAGING USING SAME INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-03-22 US disclosed