SCHEMBL21219210

SCHEMBL21219210

CCc1c(C)ccc(S(=O)(=O)O)c1OCCOCCOC

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
AOC2 O75106 1/20 0.32
PDIA6 Q15084 1/20 0.31
CA2 P00918 1/20 0.31
RECQL P46063 1/20 0.31
FFAR1 O14842 1/20 0.30

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
SCHEMBL28477669 0.96 ALDH1A1 (0.38) ALDH1A1PDIA6FFAR1
SCHEMBL28404513 0.90 ALDH1A1 (0.34) ALDH1A1KDM4ETDP1PDIA6
SCHEMBL21219212 0.89 THRA (0.32) ALDH1A1KDM4ETDP1PDIA6FFAR1
SCHEMBL28370060 0.83 GAA (0.35) ALDH1A1KDM4EPDIA6
SCHEMBL21587523 0.83 APP (0.50) ALDH1A1FFAR1
SCHEMBL21647622 0.83 L3MBTL1 (0.36) ALDH1A1KDM4E
SCHEMBL18613993 0.82 CA12 (0.38) ALDH1A1KDM4ETDP1
SCHEMBL25340129 0.80 SMN1; SMN2 (0.33) ALDH1A1KDM4ERECQL
SCHEMBL29142432 0.75 PTPN1 (0.44) CA2
SCHEMBL29041544 0.74 CA1 (0.50) KDM4ETDP1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116891476-A Fluorescent probe for rapidly detecting hydrogen sulfide gas and preparation method and application thereof 云南电力试验研究院(集团)有限公司 2023-10-17 CN claimed
WO-2024020244-A2 MIXED SOLID-STATE IONIC-ELECTRONIC POLYMER CONDUCTORS FOR ELECTROCHEMICAL DEVICES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-01-25 WO disclosed
CN-116891476-A Fluorescent probe for rapidly detecting hydrogen sulfide gas and preparation method and application thereof 云南电力试验研究院(集团)有限公司 2023-10-17 CN disclosed
CN-111247461-B Photonic upconversion film and method for manufacturing same 和歌山县 2021-12-28 CN disclosed
CN-108558701-B Micromolecule AIEE luminescent material with triple stimulus responsiveness and preparation method thereof 湘潭大学 2020-11-03 CN disclosed
CN-111247461-A Photonic upconversion film and method for manufacturing same 和歌山县 2020-06-05 CN disclosed
WO-2019203481-A1 PHOSPHOR MONOMOLECULAR COMPOUND, ORGANIC TRANSISTOR USING SAME, AND WATER DECOMPOSITION AND HYDROGEN PRODUCTION PHOTOCATALYTIC SYSTEM USING SAME 서울대학교 산학협력단 2019-10-24 WO disclosed
EP-3519386-A1 NOVEL PI-CONJUGATED MATERIALS, METHODS FOR PREPARING SAME AND USES THEREOF AS SEMICONDUCTORS Degbia, Martial (FR) 2019-08-07 EP disclosed