SCHEMBL28828320

SCHEMBL28828320

CCCCCCCC1N(C)C=CN1C.FC(F)F

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.35
DNM1 Q05193 6/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.32
THRB P10828 1/20 0.32
EPHX1 P07099 2/20 0.31
CES2 O00748 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.31
MGLL Q99685 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31

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
SCHEMBL28065948 0.98 CA2 (0.32) CA2DNM1ALDH1A1
SCHEMBL1831750 0.92 TSHR (0.38) DNM1ALDH1A1TSHRTHRBEPHX1
SCHEMBL1835105 0.92 TSHR (0.38) DNM1ALDH1A1TSHRTHRBEPHX1
SCHEMBL1832603 0.92 TSHR (0.38) DNM1ALDH1A1TSHRTHRBEPHX1
SCHEMBL6296129 0.92 TSHR (0.38) DNM1ALDH1A1TSHRTHRBEPHX1
Hydrochloric Acid SCHEMBL31094678 0.90 DNM1 (0.39) DNM1ALDH1A1TSHRTHRBEPHX1
SCHEMBL1835132 0.89 ALDH1A1 (0.34) DNM1ALDH1A1TSHRTHRBEPHX1
SCHEMBL28170888 0.85 ALDH1A1 (0.32) ALDH1A1TSHRTHRBEPHX1
SCHEMBL28065997 0.83
SCHEMBL372854 0.83 CYP1A2 (0.32) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107108771-B Two-liquid type solidification compound 东亚合成株式会社 2019-08-16 CN disclosed
CN-109415602-A 2- cyanoacrylate system adhesive composite 东亚合成株式会社 2019-03-01 CN disclosed
CN-105593307-B Hardening resin composition 东亚合成株式会社 2018-07-27 CN disclosed
CN-107108771-A Two-liquid type solidification compound 东亚合成株式会社 2017-08-29 CN disclosed
CN-105593307-A Curable resin composition TOAGOSEI CO LTD 2016-05-18 CN disclosed
CN-105579537-A Adhesive composition TOAGOSEI CO LTD 2016-05-11 CN disclosed