SCHEMBL22800830

SCHEMBL22800830

COCCCNCCCCS(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
KDM4E B2RXH2 10/20 0.39
GAA P10253 3/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 5/20 0.39
MAPK1 P28482 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
SAT1 P21673 1/20 0.37
RECQL P46063 1/20 0.37
APP P05067 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL22800823 0.98 TSHR (0.40) TSHRKDM4EGAAKMT2ALMNA
SCHEMBL22800817 0.98 TSHR (0.40) TSHRKDM4EGAAKMT2ALMNA
SCHEMBL22800820 0.98 TSHR (0.40) TSHRKDM4EGAAKMT2ALMNA
SCHEMBL22721222 0.96 ALDH1A1 (0.42) TSHRKDM4EGAAKMT2ALMNA
SCHEMBL13678420 0.92 KDM4E (0.39) TSHRKDM4EGAAKMT2ALMNA
SCHEMBL28788028 0.92 KDM4E (0.39) TSHRKDM4EGAAKMT2ALMNA
SCHEMBL28688431 0.88 KDM4E (0.39) TSHRKDM4EGAAKMT2AMEN1
SCHEMBL22800821 0.85 ALDH1A1 (0.43) TSHRKDM4EGAAKMT2ALMNA
SCHEMBL864101 0.85 APP (0.44) TSHRKDM4EGAALMNANPC1
SCHEMBL3690659 0.83 ALDH1A1 (0.46) TSHRKDM4ELMNANPC1ALDH1A1

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
EP-3760657-B1 HYDROPHILIZING AGENT FOR PRODUCTION OF SELF-EMULSIFYING POLYISOCYANATE COMPOSITION, SELF-EMULSIFYING POLYISOCYANATE COMPOSITION, COATING MATERIAL COMPOSITION, AND COATING FILM TOSOH CORP (JP) 2025-04-02 EP disclosed
US-12134677-B2 Hydrophilizing agent for production of self-emulsifying polyisocyanate composition, self-emulsifying polyisocyanate composition, coating material composition, and coating film TOSOH CORPORATION (JP) 2024-11-05 US disclosed
EP-3760657-A1 HYDROPHILIZING AGENT FOR PRODUCTION OF SELF-EMULSIFYING POLYISOCYANATE COMPOSITION, SELF-EMULSIFYING POLYISOCYANATE COMPOSITION, COATING MATERIAL COMPOSITION, AND COATING FILM Tosoh Corporation (JP) 2021-01-06 EP disclosed
US-20200399420-A1 HYDROPHILIZING AGENT FOR PRODUCTION OF SELF-EMULSIFYING POLYISOCYANATE COMPOSITION, SELF-EMULSIFYING POLYISOCYANATE COMPOSITION, COATING MATERIAL COMPOSITION, AND COATING FILM TOSOH CORPORATION (JP) 2020-12-24 US disclosed