Sugi Predict

Sugi Predict / Compounds / Formic Acid

Formic Acid

Formic Acid

SCHEMBL6770000

COc1ccc(C[N+](C)(C)CC(C)O)cc1OC.O=C[O-]

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 1/20 0.47
▸ STAT3 P40763 1/20 0.43
▸ CA2 P00918 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ ALDH1A1 P00352 5/20 0.40
▸ LMNA P02545 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ PPARG P37231 1/20 0.40
▸ PPARD Q03181 1/20 0.40
▸ PPARA Q07869 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ CHRM2 P08172 2/20 0.40
▸ CHRM1 P11229 2/20 0.40
▸ CHRM3 P20309 2/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ GAA P10253 2/20 0.39
▸ MAPT P10636 2/20 0.39

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
Formic Acid SCHEMBL6770002 0.93 LDHA (0.48) LDHASTAT3CA2ALOX15ALOX12
Formic Acid SCHEMBL6766077 0.83 CHRM2 (0.46) LDHAALDH1A1HTTCHRM2CHRM1
2-Ethylhexanoic Acid SCHEMBL6233165 0.79 CA2 (0.42) LDHASTAT3CA2PPARG
Hydrochloric Acid SCHEMBL11441673 0.79 ALDH1A1 (0.50) ALDH1A1LMNAHTTMEN1KMT2A
Hydrochloric Acid SCHEMBL11439047 0.78 GAA (0.51) LDHASTAT3CA2ALOX15ALOX12
Formic Acid SCHEMBL23069466 0.76 DNM1 (0.42) ALDH1A1HTTCHRM2CHRM1CHRM3
Hexanoate SCHEMBL6235236 0.71 EPHX2 (0.47) LDHA
SCHEMBL544199 0.71 TAAR1 (0.51) CHRM2CHRM1CHRM3ADRB2
2-Ethylhexanoic Acid SCHEMBL6233179 0.70 CA2 (0.43) LDHASTAT3CA2
SCHEMBL4598867 0.70 LDHA (0.64) LDHASTAT3CA2ALOX15ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6730628-B2 TRIMERIZING AT LEAST ONE DIISOCYANATE IN THE PRESENCE OF 0.04-2% BY WEIGHT OF A TRIMERIZATION CATALYST CONTAINING A QUATERNARY OR AMINE SALT HAVING HYDROXY GROUPS DEGUSSA AG (DE) 2004-05-04 — — US claimed
US-20030158368-A1 Catalyst and process for preparing color-reduced polyisocyanates containing isocyanurate groups DEGUSA AG (DE) 2003-08-21 — — US claimed
US-20030153714-A1 Catalyst and process for preparing color-reduced polyisocyanates containing isocyanurate groups DEGUSA AG (DE) 2003-08-14 — — US claimed
US-6552154-B1 Trimerizing at least one diisocyanate in presence of such as N-(2-hydroxypropyl)-N,N-dimethyl-N-(3-methoxybenzyl)ammonium 2-ethylhexanoate DEGUSSA AG (DE) 2003-04-22 — — US claimed
US-6800714-B2 TRIMERIZING A DIISOCYANATE IN THE PRESENCE OF QUATERNARY AMMONIUM HYDROXIDES OR ESTERS DEGUSSA AG (DE) 2004-10-05 — — US disclosed
US-6730628-B2 TRIMERIZING AT LEAST ONE DIISOCYANATE IN THE PRESENCE OF 0.04-2% BY WEIGHT OF A TRIMERIZATION CATALYST CONTAINING A QUATERNARY OR AMINE SALT HAVING HYDROXY GROUPS DEGUSSA AG (DE) 2004-05-04 — — US disclosed
US-20030158368-A1 Catalyst and process for preparing color-reduced polyisocyanates containing isocyanurate groups DEGUSA AG (DE) 2003-08-21 — — US disclosed
US-20030153714-A1 Catalyst and process for preparing color-reduced polyisocyanates containing isocyanurate groups DEGUSA AG (DE) 2003-08-14 — — US disclosed
US-6552154-B1 Trimerizing at least one diisocyanate in presence of such as N-(2-hydroxypropyl)-N,N-dimethyl-N-(3-methoxybenzyl)ammonium 2-ethylhexanoate DEGUSSA AG (DE) 2003-04-22 — — US disclosed