Bicarbonate

Bicarbonate

SCHEMBL1886282

Cc1ccc(Oc2ccccc2)cc1.O=C(O)O

nearest known ligand 0.66

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GSK3AGSK3BIMPA1

The experimentally established mechanism targets of Bicarbonate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.66
HTT P42858 1/20 0.66
MAPK14 Q16539 1/20 0.58
EPHX2 P34913 1/20 0.55
PARP10 Q53GL7 1/20 0.55
MMP13 P45452 1/20 0.55
LTA4H P09960 3/20 0.55
TSHR P16473 1/20 0.55
FFAR1 O14842 2/20 0.54
NR1H2 P55055 1/20 0.54
BAX Q07812 1/20 0.54
SRD5A2 P31213 1/20 0.53
HPGD P15428 2/20 0.53
TEAD4 Q15561 1/20 0.52
NPC1 O15118 1/20 0.51
CRHBP P24387 1/20 0.51
RAB9A P51151 1/20 0.51
CRHR2 Q13324 1/20 0.51
PNLIP P16233 1/20 0.51
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL12355 0.91 HTT (0.69) SMN1; SMN2HTTMAPK14EPHX2LTA4H
SCHEMBL17081753 0.91 HTT (0.69) SMN1; SMN2HTTMAPK14EPHX2LTA4H
SCHEMBL425356 0.91 HTT (0.69) SMN1; SMN2HTTMAPK14EPHX2LTA4H
Toluene SCHEMBL8854763 0.88 HTT (0.67) SMN1; SMN2HTTMAPK14EPHX2LTA4H
Diphenylether SCHEMBL9008689 0.88 LTA4H (0.71) SMN1; SMN2HTTMAPK14LTA4HTSHR
SCHEMBL13375679 0.88 SRD5A2 (0.72) SMN1; SMN2HTTMAPK14EPHX2PARP10
Phthalic Acid SCHEMBL10983920 0.88 AKR1C3 (0.59) SMN1; SMN2HTTMAPK14EPHX2PARP10
Phosphoric Acid SCHEMBL5518515 0.87 HTT (0.61) SMN1; SMN2HTTMAPK14EPHX2PARP10
Formic Acid SCHEMBL18406225 0.87 HTT (0.61) SMN1; SMN2HTTMAPK14EPHX2PARP10
SCHEMBL16741276 0.86 SMN1; SMN2 (0.60) SMN1; SMN2HTTMAPK14EPHX2MMP13

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
CN-112225944-B LDS (laser direct structuring) additive with good dispersibility, LDS material containing additive and application 中国石油化工股份有限公司 2022-07-12 CN disclosed
EP-2552995-B2 MELT POLYCARBONATE HAVING IMPROVED HEAT AGEING COVESTRO DEUTSCHLAND AG (DE) 2022-01-05 EP disclosed
CN-113880995-A Modified polycarbonate and preparation method and application thereof 中国石油化工股份有限公司 2022-01-04 CN disclosed
CN-113348006-A Crack-resistant member 株式会社大赛璐 2021-09-03 CN disclosed
CN-112226081-A Laser-sensitized resin composition, and preparation method and application thereof 中国石油化工股份有限公司 2021-01-15 CN disclosed
CN-112225944-A LDS (laser direct structuring) additive with good dispersibility, LDS material containing additive and application 中国石油化工股份有限公司 2021-01-15 CN disclosed
EP-2552995-B1 MELT POLYCARBONATE HAVING IMPROVED HEAT AGEING COVESTRO DEUTSCHLAND AG (DE) 2015-12-02 EP disclosed
US-8716380-B2 Polycarbonate composition having improved heat stability BAYER MATERIALSCIENCE AG (DE) 2014-05-06 US disclosed
US-8487025-B2 Branched melt polycarbonate with low content of defective structures BAYER MATERIAL SCIENCE AG (DE) 2013-07-16 US disclosed
EP-2552995-A1 MELT POLYCARBONATE HAVING IMPROVED HEAT AGEING Bayer Intellectual Property GmbH (DE) 2013-02-06 EP disclosed
US-8163822-B2 Polycarbonate composition with improved melt-flowability BAYER MATERIALSCIENCE AG (DE) 2012-04-24 US disclosed
US-20110251309-A1 BRANCHED MELT POLYCARBONATE WITH LOW CONTENT OF DEFECTIVE STRUCTURES BAYER MATERIALSCIENCE AG (DE) 2011-10-13 US disclosed
WO-2011120921-A1 MELT POLYCARBONATE HAVING IMPROVED HEAT AGEING BAYER MATERIALSCIENCE AG (DE) 2011-10-06 WO disclosed
WO-2011120198-A1 MELT POLYCARBONATE HAVING IMPROVED HEAT AGEING RESISTANCE AND MANUFACTURING METHOD THEREOF BAYER MATERIALSCIENCE AG (DE) 2011-10-06 WO disclosed
US-20110130500-A1 POLYCARBONATE COMPOSITION HAVING IMPROVED HEAT STABILITY BAYER MATERIALSCIENCE AG (DE) 2011-06-02 US disclosed
US-20110105659-A1 POLYCARBONATE COMPOSITION WITH IMPROVED MELT-FLOWABILITY BAYER MATERIALSCIENCE AG (DE) 2011-05-05 US disclosed
US-6699959-B2 EXHIBITS A FLOW BEHAVIOR SIMILAR TO THAT OF A LINEAR POLYCARBONATE OF COMPARABLE MOLECULAR WEIGHT OBTAINED BY THE INTERFACE POLYMERIZATION PROCESS. BAYER AKTIENGESELLSCHAFT (DE) 2004-03-02 US disclosed
US-20030027973-A1 Polycarbonate having a low shear thinning behavior BAYER AKTIENGESELLSCHAFT (DE) 2003-02-06 US disclosed
US-4371660-A Anisotropic melt phase forming poly(ester-carbonate) derived from 6-hydroxy-2-napthoic acid, aromatic diol, organic compound capable of forming a carbonate linkage, and, optionally, other aromatic hydroxy-acid and carbocyclic dicarboxylic acid CELANESE CORPORATION (US) 1983-02-01 US disclosed
US-3946033-A FROM GLYCINE DERIVATIVE, PRIMARY AMINE, DIARYL CARBONATE TEIJIN LTD. (JA) 1976-03-23 US disclosed