SCHEMBL608533

SCHEMBL608533

Cc1ccccc1COO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.49
TAAR1 Q96RJ0 1/20 0.46
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
CDK4 P11802 1/20 0.42
CCND1 P24385 1/20 0.42
CYP2A13 Q16696 1/20 0.41
ACHE P22303 2/20 0.41
TSHR P16473 1/20 0.41
HPGD P15428 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CTBP2 P56545 1/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
CHRM2 P08172 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
GPR84 Q9NQS5 1/20 0.39
KMT2A Q03164 2/20 0.38

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
SCHEMBL3423206 0.82 ESR1 (0.49) MAOBTAAR1ALDH1A1
SCHEMBL4315585 0.80 TAAR1 (0.50) MAOBTAAR1ADRA2AADRA2BADRA2C
SCHEMBL2712926 0.80 TAAR1 (0.50) MAOBTAAR1ADRA2AADRA2BADRA2C
SCHEMBL256804 0.78 TAAR1 (0.48) MAOBTAAR1ADRA2AADRA2BADRA2C
SCHEMBL23343755 0.77 MAOB (0.46) MAOBTAAR1ADRA2AADRA2BADRA2C
SCHEMBL4105509 0.77 TAAR1 (0.43) MAOBTAAR1ADRA2AADRA2BADRA2C
Ethylene Glycol SCHEMBL7751137 0.77 MAOB (0.46) MAOBTAAR1ADRA2AADRA2BADRA2C
SCHEMBL20267455 0.77 MAOB (0.50) MAOBTAAR1ADRA2AADRA2BADRA2C
Hydroquinone SCHEMBL10865260 0.77 MAOB (0.46) MAOBTAAR1ADRA2AADRA2BADRA2C
SCHEMBL907607 0.76 TAAR1 (0.46) MAOBTAAR1ADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2630193-B1 HYBRID SILICONE COMPOSITION FOR LIGHT EMITTING DEVICE ABLESTIK SHANGHAI LTD (CN) 2015-04-15 EP claimed
US-4255592-A PEROXIDATION OF METHYL SUBSTITUTED BENZENE IN LIQUID PHASE, ALIPHATIC TERT-HYDROPEROXIDE PROMOTER MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1981-03-10 US claimed
CN-107428937-B Thiolated vinyl norbornene composition and method for producing same 切弗朗菲利浦化学公司 2020-10-13 CN disclosed
EP-1890992-B1 AN ENRICHMENT PROCESS USING COMPOUNDS USEFUL IN A POLYESTER PROCESS GRUPO PETROTEMEX SA DE CV (MX) 2019-10-23 EP disclosed
EP-1888498-B1 A PROCESS TO PRODUCE AN ENRICHMENT FEED GRUPO PETROTEMEX SA DE CV (MX) 2019-06-26 EP disclosed
EP-1888497-B1 A PROCESS TO PRODUCE AN ENRICHED COMPOSITION THROUGH THE USE OF A CATALYST REMOVAL ZONE AND AN ENRICHMENT ZONE GRUPO PETROTEMEX SA DE CV (MX) 2019-04-17 EP disclosed
CN-101023046-B Optimized liquid phase oxidation 奇派特石化有限公司 2019-01-18 CN disclosed
EP-2066612-B1 A PROCESS TO PRODUCE AN ENRICHMENT FEED GRUPO PETROTEMEX SA DE CV (MX) 2018-08-01 EP disclosed
US-10029973-B2 Optimized liquid-phase oxidation GROPO PETROTEMEX, S.A. DE C.V. (MX) 2018-07-24 US disclosed
US-20180072648-A1 OPTIMIZED LIQUID-PHASE OXIDATION GRUPO PETROTEMEX, S.A. DE C.V. (MX) 2018-03-15 US disclosed
EP-2316566-B1 Bubble column reactor for gas-liquid exchange reactions GRUPO PETROTEMEX SA DE CV (MX) 2017-11-22 EP disclosed
US-20060047155-A1 Optimized liquid-phase oxidation ALPEK POLYESTER, S.A. DE C.V. (MX) 2006-03-02 US disclosed
US-5132329-A Water as Sole Blowing Agent and Density Control Agent BASF CORPORATION (US) 1992-07-21 US disclosed
EP-0451559-A2 Integral skin polyurethane foam BASF CORPORATION (US) 1991-10-16 EP disclosed
EP-0152425-B1 STABLE DISPERSIONS OF ORGANIC POLYMERS IN POLYEPOXIDES THE DOW CHEMICAL COMPANY (US) 1989-11-23 EP disclosed
EP-0316788-A2 Moldable energy absorbing rigid polyurethane foam compositions BASF Corporation (US) 1989-05-24 EP disclosed
US-4738993-A IMPROVED FLOWABILITY DURING REACTION INJECTION MOLDING; AUTOMOBILES BASF CORPORATION (US) 1988-04-19 US disclosed
EP-0070419-B1 PROCESS FOR PREPARING CELLULAR FOAM STABILIZER AND FOAM MATERIAL PRODUCED THEREBY Celotex Corporation (US) 1986-09-17 EP disclosed
US-4321342-A Curable fixtures of polyepoxides and amine-terminated graft polymer dispersions BASF WYANDOTTE CORPORATION (US) 1982-03-23 US disclosed
US-4255592-A PEROXIDATION OF METHYL SUBSTITUTED BENZENE IN LIQUID PHASE, ALIPHATIC TERT-HYDROPEROXIDE PROMOTER MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1981-03-10 US disclosed