SCHEMBL7156964

SCHEMBL7156964

[CH2]C(=C)SC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 9/20 0.39
▸ ALDH1A1 P00352 3/20 0.35
▸ TSHR P16473 2/20 0.35
▸ KCNN4 O15554 1/20 0.35
▸ CYP1A2 P05177 2/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ ESR1 P03372 2/20 0.32
▸ ESR2 Q92731 2/20 0.32
▸ PTPN1 P18031 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32

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
SCHEMBL7156969 0.79 KIF11 (0.38) KIF11ALDH1A1TSHRKCNN4ALOX15
SCHEMBL22966169 0.73 CYP1A2 (0.44) KIF11KCNN4CYP1A2CYP2C19
SCHEMBL4599455 0.73 KIF11 (0.41) KIF11ALDH1A1KCNN4CYP1A2CYP2C19
SCHEMBL4602170 0.70 ALDH1A1 (0.43) KIF11ALDH1A1TSHRCYP1A2ALOX15
SCHEMBL30255485 0.70 KIF11 (0.38) KIF11ALDH1A1TSHRKCNN4CYP1A2
SCHEMBL27415070 0.70 KIF11 (0.45) KIF11KCNN4CYP1A2CYP2C19
SCHEMBL30679132 0.69 KIF11 (0.44) KIF11ALDH1A1TSHRKCNN4CYP1A2
SCHEMBL4976416 0.69 KIF11 (0.44) KIF11ALDH1A1TSHRKCNN4ALOX15
SCHEMBL7715769 0.68 KIF11 (0.48) KIF11ALDH1A1TSHRKCNN4CYP1A2
SCHEMBL34009 0.68 KIF11 (0.48) KIF11ALDH1A1TSHRKCNN4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1105404-B1 PURIFICATION OF OLIGOMERS USING DUAL-END SELECTION BAYER AG (US) 2003-10-29 — — EP disclosed
US-6472522-B1 Purification of oligomers using dual-end selection BAYER CORPORATION 2002-10-29 — — US disclosed
EP-1105404-A1 PURIFICATION OF OLIGOMERS USING DUAL-END SELECTION Bayer Corporation (US) 2001-06-13 — — EP disclosed
WO-2000012524-A1 PURIFICATION OF OLIGOMERS USING DUAL-END SELECTION BAYER CORPORATION (US) 2000-03-09 — — WO disclosed
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