SCHEMBL19987838

SCHEMBL19987838

O=C(O)c1cncc(C(=O)O)c1.[AlH3]

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 6/20 0.67
ALDH1A1 P00352 4/20 0.67
KDM4E B2RXH2 3/20 0.67
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
POLB P06746 1/20 0.67
LMNA P02545 1/20 0.67
DDO Q99489 1/20 0.67
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
MKNK1 Q9BUB5 1/20 0.52
MKNK2 Q9HBH9 1/20 0.52
APP P05067 1/20 0.50
GAA P10253 1/20 0.50
HCAR3 P49019 1/20 0.50
NAPRT Q6XQN6 1/20 0.46
RAF1 P04049 1/20 0.44
TSHR P16473 2/20 0.44
ALOX15 P16050 1/20 0.44
HIF1A Q16665 1/20 0.44

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
SCHEMBL51830 0.97 HCAR2 (0.70) HCAR2ALDH1A1KDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL1117746 0.94 HCAR2 (0.67) HCAR2ALDH1A1KDM4EMEN1KMT2A
Fluoride SCHEMBL21331909 0.94 HCAR2 (0.67) HCAR2ALDH1A1KDM4EMEN1KMT2A
Bromide SCHEMBL21332093 0.94 HCAR2 (0.67) HCAR2ALDH1A1KDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL7661020 0.94 HCAR2 (0.67) HCAR2ALDH1A1KDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL7124062 0.94 HCAR2 (0.67) HCAR2ALDH1A1KDM4EMEN1KMT2A
Acetic Acid SCHEMBL28240357 0.87 HCAR2 (0.65) HCAR2ALDH1A1KDM4EMEN1KMT2A
Fumaric Acid SCHEMBL17350555 0.85 HCAR2 (0.57) HCAR2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL31064103 0.85 HCAR2 (0.63) HCAR2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL433567 0.85 HCAR2 (0.63) HCAR2ALDH1A1KDM4EMEN1KMT2A

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
US-11224856-B2 Adsorbents comprising organic-inorganic hybrid nanoporous materials for sorption of water or alcohol and use thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2022-01-18 US disclosed
EP-3297756-B1 ADSORBENTS COMPRISING ORGANIC-INORGANIC HYBRID NANOPOROUS MATERIALS FOR SORPTION OF WATER OR ALCOHOL KOREA RES INST CHEMICAL TECH (KR) 2021-04-07 EP disclosed
US-20180133684-A1 ADSORBENTS COMPRISING ORGANIC-INORGANIC HYBRID NANOPOROUS MATERIALS FOR SORPTION OF WATER OR ALCOHOL AND USE THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-05-17 US disclosed
EP-3297756-A1 ADSORBENTS COMPRISING ORGANIC-INORGANIC HYBRID NANOPOROUS MATERIALS FOR SORPTION OF WATER OR ALCOHOL AND USE THEREOF Korea Research Institute of Chemical Technology (KR) 2018-03-28 EP disclosed