SCHEMBL30375009

SCHEMBL30375009

Cc1cc(CC(c2ccc(C(C)(C)c3ccc(O)c(F)c3)cc2)c2ccc(O)c(C)c2)ccc1O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.48
ESR2 Q92731 6/20 0.38
ESRRG P62508 2/20 0.37
AR P10275 2/20 0.36
RORC P51449 1/20 0.35
CYP17A1 P05093 1/20 0.35
KLF10 Q13118 1/20 0.35
SHBG P04278 1/20 0.35
PDE4A P27815 2/20 0.33

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
SCHEMBL30320269 0.93 ESR1 (0.56) ESR1ESR2ESRRGARRORC
SCHEMBL30375004 0.90 SHBG (0.40) ESR1ESR2ESRRGARRORC
SCHEMBL27002596 0.88 ESR1 (0.41) ESR1ESR2ESRRGARRORC
SCHEMBL30374729 0.88 ESR1 (0.41) ESR1ESR2ESRRGARRORC
SCHEMBL30320268 0.85 ESR1 (0.43) ESR1ESR2ESRRGARRORC
SCHEMBL28680993 0.85 ESR1 (0.43) ESR1ESR2ESRRGARRORC
SCHEMBL30375052 0.85 ESRRG (0.38) ESR1ESR2ESRRGRORCCYP17A1
SCHEMBL1405931 0.80 ESR1 (0.57) ESR1ESR2AR
SCHEMBL17456366 0.79 ESR1 (0.77) ESR1ESR2ESRRGARRORC
SCHEMBL4025450 0.78 ESR1 (0.50) ESR1ESR2AR

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
CN-113646052-B Reversible thermochromic composition, reversible thermochromic microcapsule pigment, and writing instrument 百乐墨水株式会社 2024-05-17 CN disclosed
CN-113785023-B Water-based ink composition for reversible thermochromic writing instrument, refill for refill and water-based ballpoint pen incorporating same 株式会社百乐 2023-05-12 CN disclosed