SCHEMBL521911

SCHEMBL521911

C=C(C)C(=O)N(N)CCCC

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA9 Q16790 2/20 0.38
TSHR P16473 2/20 0.37
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP8 P22894 1/20 0.35
TDP1 Q9NUW8 1/20 0.33
CES1 P23141 3/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
ALDH1A1 P00352 2/20 0.31
CES2 O00748 2/20 0.31
EPHX2 P34913 1/20 0.30

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
Ammonia Solution, Strong SCHEMBL1081945 0.92 TSHR (0.39) CA12CA1CA9TSHRTDP1
SCHEMBL28440599 0.92 TSHR (0.43) TSHRTDP1CES1THRATHRB
SCHEMBL28754526 0.92 TSHR (0.43) TSHRTDP1CES1THRATHRB
SCHEMBL27617547 0.92 TSHR (0.43) TSHRTDP1CES1THRATHRB
SCHEMBL4534307 0.87 TDP1 (0.36) CA12CA1CA9TSHRTDP1
Hydrochloric Acid SCHEMBL4805870 0.85 TDP1 (0.35) CA12CA9TSHRTDP1
SCHEMBL1081944 0.80 PAOX (0.42) CA12CA1CA9TSHRTDP1
SCHEMBL28441792 0.79 TSHR (0.69) TSHRTDP1THRBALDH1A1CES2
SCHEMBL4653767 0.79 CA12 (0.38) CA12CA1CA9MMP1MMP2
SCHEMBL10782198 0.78 CA1 (0.40) CA12CA1CA9MMP1MMP2

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3542193-A1 METHOD FOR MAKING OPHTHALMIC LENSES Novartis AG (CH) 2019-09-25 EP disclosed
US-20180141293-A1 METHOD FOR MAKING OPHTHALMIC LENSES ALCON INC. (CH) 2018-05-24 US disclosed
US-9186441-B2 Surface treating agent, filtering material for filter, and blood treatment filter TERUMO KABUSHIKI KAISHA (JP) 2015-11-17 US disclosed
US-8821841-B2 Copolymers for cosmetic applications BASF SE (DE) 2014-09-02 US disclosed
EP-1915122-B1 COPOLYMERS FOR COSMETIC APPLICATIONS BASF SE (DE) 2013-12-04 EP disclosed
EP-1913039-B1 COPOLYMER CONTAINING SILICONE GROUPS, ITS PREPARATION AND USE BASF SE (DE) 2013-05-08 EP disclosed
EP-2004700-B1 PROCESS FOR PREPARING ACRYLATE COPOLYMERS BASF SE (DE) 2013-03-13 EP disclosed
EP-1912620-B1 USE OF ANIONICALLY AND CATIONICALLY AMPHOLYTIC COPOLYMERS BASF SE (DE) 2013-02-20 EP disclosed
EP-2415490-A1 SURFACE-TREATING AGENT, FILTERING MATERIAL FOR FILTER, AND BLOOD TREATMENT FILTER Terumo Kabushiki Kaisha (JP) 2012-02-08 EP disclosed
US-20120024779-A1 SURFACE TREATING AGENT, FILTERING MATERIAL FOR FILTER, AND BLOOD TREATMENT FILTER TERUMO KABUSHIKI KAISHA (JP) 2012-02-02 US disclosed
US-6524564-B1 Hair treatment or skin cosmetic composition which comprises at least one water soluble or water dispersible polymer formed from urethane (methacrylate) containing siloxane groups, and at least one cosmetic auxiliary BASF AKTIENGESELLSCHAFT (DE) 2003-02-25 US disclosed
US-6489397-B2 FROM A PREPOLYMER HAVING TERMINAL ISOCYANATE GROUPS AND CONTAINING IONIC GROUPS AND A POLYMER CONTAINING GROUPS WHICH ARE REACTIVE TOWARD ISOCYANATE GROUPS, ESPECIALLY AN ADDITION POLYMER BASF AKTIENGESELLSCHAFT (DE) 2002-12-03 US disclosed
US-20020032276-A1 Crosslinked, water-soluble or water-dispersible polyurethanes KIM SON NGUYEN (DE) 2002-03-14 US disclosed
EP-1117726-A1 URETHANE(METH)ACRYLATES CONTAINING SILOXANE GROUPS AND ABLE TO UNDERGO FREE-RADICAL POLYMERISATION BASF AKTIENGESELLSCHAFT (DE) 2001-07-25 EP disclosed
US-6262176-B1 FOR COATING DRUG FORMS; IN COSMETICS BASF AKTIENGESELLSCHAFT (DE) 2001-07-17 US disclosed
EP-1077669-A1 COSMETIC PRODUCT BASF AKTIENGESELLSCHAFT (DE) 2001-02-28 EP disclosed
EP-0992235-A1 Cometic composition BASF AKTIENGESELLSCHAFT (DE) 2000-04-12 EP disclosed
WO-2000012588-A1 URETHANE(METH)ACRYLATES CONTAINING SILOXANE GROUPS AND ABLE TO UNDERGO FREE-RADICAL POLYMERISATION BASF AKTIENGESELLSCHAFT (DE) 2000-03-09 WO disclosed
WO-1999058100-A1 COSMETIC PRODUCT BASF AKTIENGESELLSCHAFT (DE) 1999-11-18 WO disclosed
EP-0957119-A1 Cross-linked, water-soluble or water-dispersible polyurethanes BASF AKTIENGESELLSCHAFT (DE) 1999-11-17 EP disclosed