SCHEMBL17629341

SCHEMBL17629341

CC(COC(=O)c1ccccc1)Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
TDP1 Q9NUW8 2/20 0.56
KMT2A Q03164 2/20 0.56
SLC6A2 P23975 1/20 0.56
SLC6A3 Q01959 1/20 0.56
MAPT P10636 1/20 0.55
ADRB2 P07550 2/20 0.55
ADRB1 P08588 2/20 0.55
ADRB3 P13945 2/20 0.55
LMNA P02545 2/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
EGFR P00533 1/20 0.48
TSHR P16473 2/20 0.47
MAPK1 P28482 1/20 0.47
HIF1A Q16665 1/20 0.47
MDM2 Q00987 1/20 0.47
CTSL P07711 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.46

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
SCHEMBL571219 0.88 ALDH1A1 (0.69) ALDH1A1TDP1KMT2ASLC6A2SLC6A3
SCHEMBL5622799 0.84 NPC1 (0.53) ALDH1A1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL16673221 0.84 ALDH1A1 (0.56) ALDH1A1TDP1KMT2ASLC6A2SLC6A3
Ethylene Glycol SCHEMBL11169176 0.83 ALDH1A1 (0.68) ALDH1A1TDP1KMT2ASLC6A2SLC6A3
SCHEMBL10886546 0.83 ALDH1A1 (0.56) ALDH1A1KMT2ALMNANPC1RAB9A
SCHEMBL24073103 0.83 NPC1 (0.51) ALDH1A1KMT2AMAPTLMNANPC1
SCHEMBL442774 0.83 MAPT (0.78) ALDH1A1TDP1KMT2ASLC6A2SLC6A3
SCHEMBL18489493 0.83 ALDH1A1 (0.62) ALDH1A1TDP1KMT2ASLC6A2SLC6A3
SCHEMBL7296875 0.83 ALDH1A1 (0.62) ALDH1A1TDP1KMT2ASLC6A2SLC6A3
SCHEMBL16137501 0.83 ALDH1A1 (0.56) ALDH1A1KMT2ALMNANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113811287-A Low VOC multifunctional additives for improving aqueous polymer film properties 艾默罗德卡拉玛化学品公司 2021-12-17 CN claimed
US-10995198-B2 Monobenzoate analogs useful as plasticizers in plastisol compositions EMERALD KALAMA CHEMICAL, LLC (US) 2021-05-04 US claimed
US-20200131332-A1 MONOBENZOATE ANALOGS USEFUL AS PLASTICIZERS IN PLASTISOL COMPOSITIONS EMERALD KALAMA CHEMICAL, LLC 2020-04-30 US claimed
EP-3197948-B1 MONOBENZOATE ANALOGS USEFUL AS PLASTICIZERS IN PLASTISOL COMPOSITIONS EMERALD KALAMA CHEMICAL LLC (US) 2020-04-01 EP claimed
US-20170253725-A1 MONOBENZOATE ANALOGS USEFUL AS PLASTICIZERS IN PLASTISOL COMPOSITIONS EMERALD KALAMA CHEMICAL, LLC 2017-09-07 US claimed
EP-3197948-A1 MONOBENZOATE ANALOGS USEFUL AS PLASTICIZERS IN PLASTISOL COMPOSITIONS Emerald Kalama Chemical, LLC (US) 2017-08-02 EP claimed
WO-2016049479-A1 MONOBENZOATE ANALOGS USEFUL AS PLASTICIZERS IN PLASTISOL COMPOSITIONS EMERALD KALAMA CHEMICAL, LLC (US) 2016-03-31 WO claimed
CN-113811287-B Low VOC multi-functional additives for improving waterborne polymer film properties 朗盛公司 2023-11-17 CN disclosed
CN-113811287-A Low VOC multifunctional additives for improving aqueous polymer film properties 艾默罗德卡拉玛化学品公司 2021-12-17 CN disclosed
US-10995198-B2 Monobenzoate analogs useful as plasticizers in plastisol compositions EMERALD KALAMA CHEMICAL, LLC (US) 2021-05-04 US disclosed
US-10995198-B2 Monobenzoate analogs useful as plasticizers in plastisol compositions EMERALD KALAMA CHEMICAL, LLC (US) 2021-05-04 US disclosed
US-20200131332-A1 MONOBENZOATE ANALOGS USEFUL AS PLASTICIZERS IN PLASTISOL COMPOSITIONS EMERALD KALAMA CHEMICAL, LLC 2020-04-30 US disclosed
US-20200131332-A1 MONOBENZOATE ANALOGS USEFUL AS PLASTICIZERS IN PLASTISOL COMPOSITIONS EMERALD KALAMA CHEMICAL, LLC 2020-04-30 US disclosed
US-20170253725-A1 MONOBENZOATE ANALOGS USEFUL AS PLASTICIZERS IN PLASTISOL COMPOSITIONS EMERALD KALAMA CHEMICAL, LLC 2017-09-07 US disclosed
US-20170253725-A1 MONOBENZOATE ANALOGS USEFUL AS PLASTICIZERS IN PLASTISOL COMPOSITIONS EMERALD KALAMA CHEMICAL, LLC 2017-09-07 US disclosed
US-20170253725-A1 MONOBENZOATE ANALOGS USEFUL AS PLASTICIZERS IN PLASTISOL COMPOSITIONS EMERALD KALAMA CHEMICAL, LLC 2017-09-07 US disclosed
CN-106715557-A9 Monobenzoate analogs useful as plasticizers in plastisol compositions 艾默罗德卡拉玛化学品公司 2017-08-25 CN disclosed
EP-3197948-A1 MONOBENZOATE ANALOGS USEFUL AS PLASTICIZERS IN PLASTISOL COMPOSITIONS Emerald Kalama Chemical, LLC (US) 2017-08-02 EP disclosed
CN-106715557-A Monobenzoate analogs useful as plasticizers in plastisol compositions 艾默罗德卡拉玛化学品公司 2017-05-24 CN disclosed
WO-2016049479-A1 MONOBENZOATE ANALOGS USEFUL AS PLASTICIZERS IN PLASTISOL COMPOSITIONS EMERALD KALAMA CHEMICAL, LLC (US) 2016-03-31 WO disclosed