SCHEMBL3136079

SCHEMBL3136079

C=CC(=O)NC(C)(O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 3/20 0.38
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TGM2 P21980 2/20 0.33
LMNA P02545 1/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.31
ZDHHC2 Q9UIJ5 1/20 0.31
TET2 Q6N021 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
Methoxymethane SCHEMBL9097317 0.94 ALDH1A1 (0.41) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL1420537 0.79 ALDH1A1 (0.46) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL28473797 0.79 ALDH1A1 (0.46) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL246454 0.78 ALDH1A1 (0.39) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL2943903 0.78
SCHEMBL1548739 0.78
SCHEMBL27640713 0.77 ALDH1A1 (0.44) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
Methoxymethane SCHEMBL28057078 0.77 ALDH1A1 (0.38) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
Bicarbonate SCHEMBL8361455 0.76 ALDH1A1 (0.47) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL19253137 0.76

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 83 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114981072-B Wettable silicone hydrogel contact lenses 爱尔康公司 2024-03-26 CN claimed
CN-115605529-B Photochromic polydiorganosiloxane vinyl cross-linking agent 爱尔康公司 2024-03-26 CN claimed
CN-114502362-B Contact lenses with surfaces of different softness 爱尔康公司 2024-03-26 CN claimed
CN-117492232-A Zhou Pao and month polishing gradient contact lens 爱尔康公司 2024-02-02 CN claimed
CN-117270235-A Contact lens having a lubricious coating thereon 爱尔康公司 2023-12-22 CN claimed
CN-111919141-B Silicone Hydrogel Contact Lenses 爱尔康公司 2023-11-14 CN claimed
CN-111566517-B Contact lens having a lubricious coating thereon 爱尔康公司 2023-11-10 CN claimed
CN-109690360-B Method for producing contact lenses having durable lubricious coatings thereon 爱尔康公司 2023-04-25 CN claimed
CN-115698776-A Insert material with high oxygen permeability coefficient and high refractive index 爱尔康公司 2023-02-03 CN claimed
CN-115605529-A Photochromic polydiorganosiloxane ethylene crosslinkers 爱尔康公司(CH) 2023-01-13 CN claimed
CN-114502362-A Contact lenses with surfaces of varying softness 爱尔康公司 2022-05-13 CN claimed
CN-110831990-B Poly (meth) acrylamide-based copolymers with carboxyl-terminated side chains 爱尔康公司 2022-02-01 CN claimed
CN-111919141-A Silicone hydrogel contact lenses 爱尔康公司 2020-11-10 CN claimed
CN-111566517-A Contact lenses having lubricious coating thereon 爱尔康公司 2020-08-21 CN claimed
CN-110831990-A Poly (meth) acrylamide-based copolymers with carboxyl-terminated side chains 爱尔康公司 2020-02-21 CN claimed
CN-104521031-B Dividing plate and the electrochemical appliance including it LG化学株式会社 2017-07-11 CN claimed
CN-106661441-A Salt tolerant friction reducer 索尔维美国有限公司 2017-05-10 CN claimed
CN-103477491-B Barrier film, its manufacture method and comprise the electrochemical appliance of this barrier film LG CHEM, LTD. (KR) 2015-09-23 CN claimed
CN-104521031-A Separator, and electrochemical device comprising same LG CHEMICAL LTD 2015-04-15 CN claimed
US-4829102-A Polymeric opaque particles and process for making same UNION OIL COMPANY OF CALIFORNIA (US) 1989-05-09 US claimed