SCHEMBL29104437

SCHEMBL29104437

C=Cc1ccc(S(=O)(=O)O)cc1.CC[Na]

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.78
▸ LMNA P02545 3/20 0.42
▸ ALDH1A1 P00352 7/20 0.41
▸ TSHR P16473 4/20 0.41
▸ NT5E P21589 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ TAS1R3 Q7RTX0 1/20 0.37
▸ TAS1R1 Q7RTX1 1/20 0.37
▸ POLB P06746 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ HCRTR1 O43613 1/20 0.34
▸ HCRTR2 O43614 1/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ RXRG P48443 1/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNB4 P30926 1/20 0.33
▸ CHRNA3 P32297 1/20 0.33
▸ CHRNA7 P36544 1/20 0.33

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
SCHEMBL31126649 0.88 TDP1 (1.00) TDP1LMNAALDH1A1TSHRNT5E
SCHEMBL452529 0.88 TDP1 (1.00) TDP1LMNAALDH1A1TSHRNT5E
SCHEMBL25711 0.88 TDP1 (1.00) TDP1LMNAALDH1A1TSHRNT5E
Hydrochloric Acid SCHEMBL8527191 0.86 TDP1 (0.95) TDP1LMNAALDH1A1TSHRNT5E
SCHEMBL2198423 0.86 TDP1 (0.95) TDP1LMNAALDH1A1TSHRNT5E
SCHEMBL5621481 0.86 TDP1 (0.95) TDP1LMNAALDH1A1TSHRNT5E
Ammonia Solution, Strong SCHEMBL814454 0.86 TDP1 (0.95) TDP1LMNAALDH1A1TSHRNT5E
SCHEMBL94888 0.86 TDP1 (0.95) TDP1LMNAALDH1A1TSHRNT5E
Water SCHEMBL5955686 0.86 TDP1 (0.95) TDP1LMNAALDH1A1TSHRNT5E
SCHEMBL813503 0.86 TDP1 (0.95) TDP1LMNAALDH1A1TSHRNT5E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114478908-B Temperature-resistant and salt-resistant polymer containing cyclic structure and preparation method and application thereof 中国石油天然气股份有限公司 2023-09-26 — — CN disclosed
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