SCHEMBL28438752

SCHEMBL28438752

CCCCO[SiH](OCCCC)OCCCCN

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 9/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
EPHX1 P07099 1/20 0.48
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
CYP3A4 P08684 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
NFKB1 P19838 1/20 0.33
CA9 Q16790 1/20 0.32

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
SCHEMBL9804420 0.91 DNM1 (0.42) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL2143013 0.88 DNM1 (0.46) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL728358 0.86 DNM1 (0.36) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL16497481 0.85 ADRB2 (0.41) MEN1KMT2AALDH1A1TSHRADRB2
SCHEMBL22661054 0.85 ADRB2 (0.41) MEN1KMT2AALDH1A1TSHRADRB2
SCHEMBL310148 0.84 ADRB2 (0.45) ALDH1A1TSHRADRB2ADRB1ADRB3
SCHEMBL11240047 0.84 DNM1 (0.40) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL119151 0.82 THRB (0.41) MEN1KMT2AALDH1A1TSHRCA1
Fluoride SCHEMBL27823338 0.82 ADRB2 (0.43) ALDH1A1TSHRADRB2ADRB1ADRB3
Hydrochloric Acid SCHEMBL9709345 0.82 ADRB2 (0.43) DNM1ALDH1A1TSHRADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115768616-A Polyisocyanurate coatings (RIM) and their use in injection moulding processes 科思创德国股份有限公司 2023-03-07 CN disclosed
CN-110024174-B Negative electrode for electrochemical cell 奥克斯能源有限公司 2022-08-09 CN disclosed
CN-111479629-A Process for preparing mixed silane-terminated polymers 科思创德国股份有限公司 2020-07-31 CN disclosed