Bicarbonate

Bicarbonate

SCHEMBL7800902

C=C(CC1CO1)C(N)=O.O=C(O)O

nearest known ligand 0.36

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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 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL2778065 0.96
SCHEMBL184079 0.80
SCHEMBL5713286 0.80 ALDH1A1 (0.39) ALDH1A1
Ethylene SCHEMBL10456431 0.78 ALDH1A1 (0.38) ALDH1A1
Bicarbonate SCHEMBL27847276 0.78 ALDH1A1 (0.41) ALDH1A1
Urea SCHEMBL27684261 0.77 ALDH1A1 (0.46) ALDH1A1
SCHEMBL11310102 0.76 KDM4E (0.33) ALDH1A1
SCHEMBL3630010 0.75 ALDH1A1 (0.36) ALDH1A1
SCHEMBL1412263 0.75 HPGD (0.41) ALDH1A1
SCHEMBL5172542 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0951496-B1 ALKYD AND ARALKYD DERIVATIVES OF PHENOLIC POLYMERS GEORGIA PACIFIC RESINS (US) 2001-12-19 EP disclosed
EP-0951496-A2 ALKYD AND ARALKYD DERIVATIVES OF PHENOLIC POLYMERS GEORGIA-PACIFIC RESINS, INC. (US) 1999-10-27 EP disclosed
WO-1998030596-A2 ALKYD AND ARALKYD DERIVATIVES OF PHENOLIC POLYMERS GEORGIA-PACIFIC RESINS, INC. (US) 1998-07-16 WO disclosed
US-5770750-A Alkyd and aralkyd derivatives of phenolic polymers GEORGIA-PACIFIC RESINS, INC. (US) 1998-06-23 US disclosed