SCHEMBL28166317

SCHEMBL28166317

NCCCCC1CCCOCC1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.61
RAD52 P43351 1/20 0.38
CYP1A2 P05177 2/20 0.34
POLB P06746 1/20 0.33
NAAA Q02083 2/20 0.33
KEAP1 Q14145 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CEL P19835 1/20 0.31
PKM P14618 1/20 0.31
MEN1 O00255 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 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
SCHEMBL21305354 0.85 SIGMAR1 (0.40) SIGMAR1ALDH1A1
SCHEMBL1052281 0.85 SIGMAR1 (0.48) SIGMAR1CYP1A2POLBNAAAKEAP1
SCHEMBL920856 0.80 SIGMAR1 (0.90) SIGMAR1RAD52CYP1A2POLBGLA
SCHEMBL919889 0.80
SCHEMBL27473643 0.78 CYP1A2 (0.52) SIGMAR1CYP1A2POLBNAAAALDH1A1
SCHEMBL23720011 0.78 SIGMAR1 (0.95) SIGMAR1RAD52CYP1A2POLBGLA
SCHEMBL22857735 0.78 SIGMAR1 (0.95) SIGMAR1RAD52CYP1A2POLBGLA
SCHEMBL22260422 0.78 SIGMAR1 (0.95) SIGMAR1RAD52CYP1A2POLBGLA
SCHEMBL22472731 0.78 SIGMAR1 (0.95) SIGMAR1RAD52CYP1A2POLBGLA
SCHEMBL9292943 0.78 SIGMAR1 (0.95) SIGMAR1RAD52CYP1A2POLBGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105683245-B Cross-linking of double-bond-containing polyethercarbonate polyols by addition of mercapto compounds 科思创德国股份有限公司 2019-10-22 CN disclosed
CN-109890869-A The method of preparation polymerization open-loop products 科思创德国股份有限公司 2019-06-14 CN disclosed
CN-109790275-A Process for preparing multiple bond-containing prepolymers as elastomer precursors 科思创德国股份有限公司 2019-05-21 CN disclosed
CN-109790276-A The method for preparing elastomer 科思创德国股份有限公司 2019-05-21 CN disclosed
CN-105899572-B Branched polyether carbonate polyols and process for their preparation 科思创德国股份有限公司 2018-12-28 CN disclosed
CN-109071791-A The method for preparing polyether carbonate polyol 科思创德国股份有限公司 2018-12-21 CN disclosed
CN-105473637-B The radical crosslinking of polyether carbonate polyol containing electron deficient and electron rich double bond 科思创德国股份公司 2018-09-21 CN disclosed
CN-106029739-B Method for producing polyether ester carbonate polyols 科思创德国股份有限公司 2018-09-21 CN disclosed
CN-105683246-B Low viscosity polyether carbonate polyol with side chain 科思创德国股份有限公司 2018-06-26 CN disclosed
CN-105408377-B Polyether carbonate-polyformaldehyde block copolymer 科思创德国股份公司 2018-06-22 CN disclosed
CN-107922607-A Process for producing high molecular weight polyoxyalkylene polyol 科思创德国股份有限公司 2018-04-17 CN disclosed
CN-105473638-B The polyether carbonate polyol of the higher functional obtained using branched agent molecule 科思创德国股份公司 2018-01-26 CN disclosed
CN-107636043-A The method for preparing polyether carbonate polyol 科思创德国股份有限公司 2018-01-26 CN disclosed
CN-104540875-B Method for producing polyether carbonate polyols 科思创德国股份有限公司 2017-09-29 CN disclosed
CN-107108878-A The method for preparing polyether carbonate polyol 科思创德国股份有限公司 2017-08-29 CN disclosed