SCHEMBL6134859

SCHEMBL6134859

CCCCCC(C(=O)Cl)(C(=O)Cl)C(=O)Cl

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
TSHR P16473 1/20 0.46
FDPS P14324 8/20 0.45
TP53 P04637 1/20 0.44
SMPD1 P17405 2/20 0.43
CES2 O00748 2/20 0.43
GGPS1 O95749 4/20 0.41
CES1 P23141 1/20 0.40

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
SCHEMBL28898288 0.98 ALDH1A1 (0.50) ALDH1A1TSHRFDPSSMPD1CES2
SCHEMBL628993 0.92 ALDH1A1 (0.46) ALDH1A1TSHRFDPSTP53SMPD1
SCHEMBL628235 0.81 TSHR (0.41) ALDH1A1TSHRFDPSTP53CES2
SCHEMBL28895340 0.81 ALDH1A1 (0.41) ALDH1A1TSHRFDPSTP53CES1
SCHEMBL7679633 0.80 ALDH1A1 (0.46) ALDH1A1TSHRFDPSTP53SMPD1
SCHEMBL7679775 0.78 GGPS1 (0.45) ALDH1A1TSHRFDPSTP53SMPD1
SCHEMBL8736291 0.78 ALDH1A1 (0.44) ALDH1A1TSHRFDPSTP53SMPD1
SCHEMBL1410499 0.78 ALDH1A1 (0.44) ALDH1A1TSHRFDPSTP53SMPD1
SCHEMBL7690546 0.78 ALDH1A1 (0.50) ALDH1A1TSHRFDPSSMPD1CES2
SCHEMBL29083 0.77 AKR1B1 (0.46) ALDH1A1TSHRCES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110354682-A A kind of stable against biological contamination reverse osmosis membrane and its preparation method and application 万华化学集团股份有限公司 2019-10-22 CN claimed
CN-111686594-A High-flux high-retention composite membrane and preparation method thereof 天津工业大学 2020-09-22 CN disclosed
CN-110354682-A A kind of stable against biological contamination reverse osmosis membrane and its preparation method and application 万华化学集团股份有限公司 2019-10-22 CN disclosed
EP-1506168-A2 GELLING AGENTS Applied NanoSystems B.V. (NL) 2005-02-16 EP disclosed
WO-2003097587-A2 GELLING AGENTS APPLIED NANOSYSTEMS B.V. (NL) 2003-11-27 WO disclosed