SCHEMBL9143141

SCHEMBL9143141

O=C(O)c1ccc(OC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.49
▸ USP2 O75604 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ KMT2A Q03164 1/20 0.47
▸ SRD5A2 P31213 4/20 0.41
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ ALOX15 P16050 1/20 0.37
▸ GFER P55789 1/20 0.37
▸ ADAM17 P78536 1/20 0.37
▸ FAAH O00519 1/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ PARP15 Q460N3 1/20 0.37
▸ PARP10 Q53GL7 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ MAPK1 P28482 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
SCHEMBL9147212 0.91 TSHR (0.48) TSHRUSP2MAPTALDH1A1HSD17B10
SCHEMBL9141752 0.91 TSHR (0.48) TSHRUSP2MAPTALDH1A1HSD17B10
SCHEMBL9576640 0.89 TSHR (0.50) TSHRUSP2MAPTALDH1A1HSD17B10
SCHEMBL9143128 0.88 TSHR (0.50) TSHRALDH1A1HSD17B10KMT2ASRD5A2
SCHEMBL9578567 0.84 KMT2A (0.53) TSHRALDH1A1HSD17B10KMT2ASRD5A2
SCHEMBL9745977 0.81 KMT2A (0.53) TSHRALDH1A1HSD17B10KMT2ASRD5A2
SCHEMBL9141579 0.81 TSHR (0.40) TSHRUSP2MAPTALDH1A1KMT2A
SCHEMBL9146395 0.81 TSHR (0.40) TSHRUSP2MAPTALDH1A1KMT2A
SCHEMBL9578560 0.80 TSHR (0.60) TSHRALDH1A1HSD17B10KMT2ASRD5A2
SCHEMBL9143135 0.78 TSHR (0.78) TSHRUSP2MAPTALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5399701-A Polyfluoroalkyloxypyridinecarboxylic acid and -carboxaldehyde intermediates MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-03-21 — — US disclosed
US-5254747-A Fluorine-containing chiral smectic liquid crystals MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-10-19 — — US disclosed
US-5082587-A ACHIRAL FLUORINE-CONTAINING LIQUID CRYSTALS 3M INNOVATIVE PROPERTIES COMPANY 1992-01-21 — — US disclosed
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