SCHEMBL8715708

SCHEMBL8715708

Cl[Ti].OC(Cl)(Cl)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 3/20 0.39
KCNN4 O15554 3/20 0.39
ALOX15 P16050 1/20 0.37
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36
CYP3A4 P08684 2/20 0.36
PTPN1 P18031 1/20 0.36
MAPK1 P28482 2/20 0.35
CFTR P13569 1/20 0.35
GOPC Q9HD26 1/20 0.35
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL456764 0.94 TSHR (0.58) TSHRCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL8519505 0.92 TSHR (0.55) TSHRCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL8714122 0.89 TSHR (0.52) TSHRCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL8712508 0.89 TSHR (0.52) TSHRCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL6361861 0.77 TSHR (0.58) TSHRCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL4747863 0.77 TSHR (0.58) TSHRCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL30172471 0.77 TSHR (0.58) TSHRCYP1A2CYP2C9CYP2C19ALDH1A1
Phenylethyl Alcohol SCHEMBL17185910 0.75 TDP1 (0.64) TSHRCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL4448673 0.73 TSHR (0.61) TSHRCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL6930353 0.72 KCNN4 (0.52) TSHRCYP1A2CYP2C9CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0669346-B1 Solid catalyst components for olefin polymerization and use thereof NIPPON OIL CO LTD (JP) 1998-06-03 EP disclosed
EP-0569249-B1 Ethylene/alpha-olefin copolymers NIPPON OIL CO LTD (JP) 1997-08-06 EP disclosed
US-5604170-A EFFECTIVE CATALYST SUPPORT SATISFYING CERTAIN REQUISITES: PARTICLE DIAMETER, SPECIFIC SURFACE AREA, PORE VOLUME, SPECIFIC GRAVITY; SUBJECTED TO ULTRASONIC DISINTEGRATION NIPPON OIL COMPANY, LIMITED (JP) 1997-02-18 US disclosed
EP-0669346-A1 Solid catalyst components for olefin polymerization and use thereof NIPPON OIL CO. LTD. (JP) 1995-08-30 EP disclosed
US-5391660-A Narrow molecular weight distribution by addition polymerizing a olefin or mixtures in a catalysts mixtures having metal compounds, halometal compound and alumoxanes NIPPON OIL COMPANY, LIMITED (JP) 1995-02-21 US disclosed
EP-0587440-A2 Catalyst component for the polymerisation of olefins and process for preparing olefin polymers using same NIPPON OIL COMPANY, LIMITED (JP) 1994-03-16 EP disclosed
EP-0569249-A2 Ethylene/alpha-olefin copolymers NIPPON OIL COMPANY, LIMITED (JP) 1993-11-10 EP disclosed