SCHEMBL7606636

SCHEMBL7606636

CC(C)(CO)CC(O)C(C)(C)Cl

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.31
TSHR P16473 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
SCHEMBL6565254 0.79 TSHR (0.46) TSHR
SCHEMBL7159046 0.77 TSHR (0.32) TSHR
SCHEMBL23716977 0.75 TSHR (0.31) TSHR
SCHEMBL17994854 0.70
SCHEMBL8528537 0.70
SCHEMBL28595210 0.70 TSHR (0.32) TSHR
SCHEMBL112219 0.70 HMGCR (0.31) CYP2C19TSHR
SCHEMBL104641 0.67
SCHEMBL19326682 0.67 TDP1 (0.32)
SCHEMBL5907219 0.67 TSHR (0.38) TSHR

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
US-6475271-B2 WATER, A COLORANT, AND A LOW BOILING POINT PENETRANT ADDITIVE HAVING A BOILING POINT LESS THAN OR EQUAL TO ABOUT 115 DEGREES C.; HIGH QUALITY IMAGES WITH MINIMAL INTERCOLOR BLEED AND LOW MFLEN. XEROX CORPORATION 2002-11-05 US disclosed