SCHEMBL6521603

SCHEMBL6521603

CCC(c1ccccc1)(c1cccc(O)c1)c1ccccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 11/20 0.48
ALDH1A1 P00352 3/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP3A4 P08684 3/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KCNH2 Q12809 1/20 0.35
HSD17B1 P14061 2/20 0.34
HSD17B2 P37059 2/20 0.34
ESR1 P03372 1/20 0.34
DRD2 P14416 1/20 0.34
OPRM1 P35372 1/20 0.34
DRD3 P35462 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 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
SCHEMBL985016 0.88 ALDH1A1 (0.48) KIF11ALDH1A1TSHRTDP1CYP3A4
SCHEMBL8674427 0.88 KIF11 (0.49) KIF11ALDH1A1TSHRTDP1CYP3A4
SCHEMBL30639004 0.85 ALDH1A1 (0.48) KIF11ALDH1A1TSHRTDP1CYP3A4
SCHEMBL18076586 0.85 ALDH1A1 (0.48) KIF11ALDH1A1TSHRTDP1CYP3A4
SCHEMBL10898128 0.82 ALDH1A1 (0.48) KIF11ALDH1A1CYP3A4CYP2C9ESR1
SCHEMBL1852249 0.80 ALDH1A1 (0.39) KIF11ALDH1A1TSHRTDP1CYP3A4
SCHEMBL10408515 0.79 KIF11 (0.45) KIF11ALDH1A1TSHRTDP1CYP3A4
SCHEMBL505600 0.77 TSHR (0.56) KIF11ALDH1A1TSHRTDP1CYP3A4
SCHEMBL29372814 0.77 TSHR (0.56) KIF11ALDH1A1TSHRTDP1CYP3A4
SCHEMBL5052726 0.75 ALDH1A1 (0.50) KIF11ALDH1A1TSHRTDP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1028999-B1 Rigid, high temperature insulating foam prepared from polyisocyanate and polyol mixture and method of preparation SUFI ANIQ (US) 2005-02-02 EP disclosed
EP-1028999-A4 COMPOSITION AND METHOD FOR INSULATING FOAM SUFI ANIQ (US) 2001-01-17 EP disclosed
EP-1028999-A1 COMPOSITION AND METHOD FOR INSULATING FOAM Sufi, Aniq (US) 2000-08-23 EP disclosed
WO-1999023160-A1 COMPOSITION AND METHOD FOR INSULATING FOAM SUFI ANIQ (US) 1999-05-14 WO disclosed
US-5859082-A POLYISOCYANATE, POLYEPOXIDE, POLYESTER POLYOL, MELAMINE RESIN SUFI ANIQ (US) 1999-01-12 US disclosed
US-5777009-A Flame retardant low Tg polyestercarbonate GENERAL ELECTRIC COMPANY (US) 1998-07-07 US disclosed
EP-0838503-A1 Flame retardant composition of polyerstercarbonate, halogenated polycarbonate, potassium diphenylsulfone sulfonate and polytetrafluoroethylene GENERAL ELECTRIC COMPANY (US) 1998-04-29 EP disclosed
EP-0563316-B1 POLYOXAZOLIDONES FULLER H B LICENSING FINANC (US) 1995-03-08 EP disclosed
EP-0563316-A1 POLYOXAZOLIDONES. FULLER H B LICENSING FINANC (US) 1993-10-06 EP disclosed
US-5138016-A Using zinc halide catalyst H. B. FULLER COMPANY (US) 1992-08-11 US disclosed
WO-1992011304-A1 NOVEL CATALYST FOR PRODUCTION OF OXAZOLIDINE COMPOUNDS H.B. FULLER LICENSING & FINANCING INC. (US) 1992-07-09 WO disclosed
EP-0179344-B1 PROCESS FOR THE PREPARATION OF LIQUID, BROMINE CONTAINING ALKOXIDES AND THEIR USE FOR THE PREPARATION OF FLAME-RESISTANT POLYURETHANES BAYER AG (DE) 1989-06-28 EP disclosed
US-4766158-A CATALYTIC REACTION OF POLYISOCYANATES AND POLYEPOXIDE OLIN CORPORATION (US) 1988-08-23 US disclosed
US-4699931-A REACTING POLYISOCYANATE WITH POLYEPOXIDE-THERMAL STABILITY OLIN CORPORATION (US) 1987-10-13 US disclosed
US-4621104-A OF BUTYNEDIOL AND ALKYLENE OXIDE BAYER AKTIENGESELLSCHAFT (DE) 1986-11-04 US disclosed
EP-0179344-A2 Process for the preparation of liquid, bromine containing alkoxides and their use for the preparation of flame-resistant polyurethanes BAYER AG (DE) 1986-04-30 EP disclosed
US-4412012-A CURING AGENT IS KETONE BLOCKED PRIMARY AMINE ALBANY INTERNATIONAL CORP. (US) 1983-10-25 US disclosed
US-4410639-A KETONE BLOCKED PRIMARY AMINE CURING AGENT ALBANY INTERNATIONAL CORP. (US) 1983-10-18 US disclosed
US-4066628-A REACTING ORGANIC ISOCYANATE WITH AN EPOXIDE MITSUBISHI CHEMICAL INDUSTRIES LTD. (JA) 1978-01-03 US disclosed
US-4040994-A OF A NON-FATTY POLYEPOXIDE COMPOUND, AT LEAST TWO EPOXIDIZED FATTY ACID ESTERS AND A POLYCARBOXYLIC ACID ANHYDRIDE CURING AGENT UNITECH CHEMICAL INC. (US) 1977-08-09 US disclosed