SCHEMBL29940464

SCHEMBL29940464

O=C(O)c1ccc(C(=O)O)c(OC(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYGL P06737 1/20 0.49
RXRA P19793 1/20 0.48
RXRB P28702 1/20 0.48
RXRG P48443 1/20 0.48
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA7 P43166 1/20 0.46
TPMT P51580 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
USP2 O75604 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
RAB9A P51151 2/20 0.43

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
SCHEMBL708079 1.00 PYGL (0.49) PYGLRXRARXRBRXRGCA12
SCHEMBL3367612 0.85 RXRA (0.54) PYGLRXRARXRBRXRGCA12
SCHEMBL14213194 0.84 RXRA (0.49) PYGLRXRARXRBRXRGCA12
SCHEMBL1538085 0.83 CA12 (0.41) PYGLRXRARXRBRXRGCA12
SCHEMBL1110964 0.82 HTT (0.50) PYGLRXRARXRBRXRGCA12
SCHEMBL3648979 0.82 HTT (0.61) PYGLRXRARXRBRXRGCA12
SCHEMBL11816083 0.82 RXRA (0.48) PYGLRXRARXRBRXRGCA12
SCHEMBL17339467 0.82 PYGL (0.46) PYGLRXRARXRBRXRGCA1
SCHEMBL27051473 0.82 ESR1 (0.53) RXRARXRBRXRGCA12CA1
SCHEMBL6556756 0.81 HSD11B1 (0.48) PYGLALDH1A1USP2HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117887086-A Application of halogen functionalized metal organic framework material in storage and delivery of fluorine-containing electron special gas 华为技术有限公司 2024-04-16 CN claimed
CN-117013199-A Fluorinated MOFs-based diaphragm for dendrite-free lithium metal battery and preparation method thereof 广东工业大学 2023-11-07 CN claimed
CN-115947949-B Porous metal organic framework material and synthesis method thereof, adsorbent and method for purifying ethylene 深圳职业技术学院 2023-10-27 CN claimed
CN-115947949-A Porous metal organic framework material and synthesis method thereof, adsorbent and method for purifying ethylene 深圳职业技术学院 2023-04-11 CN claimed
CN-117887086-A Application of halogen functionalized metal organic framework material in storage and delivery of fluorine-containing electron special gas 华为技术有限公司 2024-04-16 CN disclosed
CN-117013199-A Fluorinated MOFs-based diaphragm for dendrite-free lithium metal battery and preparation method thereof 广东工业大学 2023-11-07 CN disclosed
CN-115947949-B Porous metal organic framework material and synthesis method thereof, adsorbent and method for purifying ethylene 深圳职业技术学院 2023-10-27 CN disclosed
CN-115947949-B Porous metal organic framework material and synthesis method thereof, adsorbent and method for purifying ethylene 深圳职业技术学院 2023-10-27 CN disclosed
CN-115947949-A Porous metal organic framework material and synthesis method thereof, adsorbent and method for purifying ethylene 深圳职业技术学院 2023-04-11 CN disclosed
CN-115947949-A Porous metal organic framework material and synthesis method thereof, adsorbent and method for purifying ethylene 深圳职业技术学院 2023-04-11 CN disclosed
CN-112778518-B Amide-bridged organic polymer hole transport material and synthesis method and application thereof 天津理工大学 2022-07-22 CN disclosed