SCHEMBL18171699

SCHEMBL18171699

C=C(C#N)C(=O)O.N#CC(=CN)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CISD1 Q9NZ45 1/20 0.36
SLC16A3 O15427 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
SLC16A1 P53985 1/20 0.36
GPR35 Q9HC97 1/20 0.36
MCL1 Q07820 1/20 0.32
TSHR P16473 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
SCHEMBL3364914 0.89
SCHEMBL435590 0.89
SCHEMBL4287679 0.84 ALDH1A1 (0.38) EGFRKDM4EALDH1A1CISD1SLC16A3
Water SCHEMBL21525772 0.81
SCHEMBL20472689 0.81 ALDH1A1 (0.42) ALDH1A1TSHR
SCHEMBL10422 0.81
Water SCHEMBL27627574 0.81 ALDH1A1 (0.42) ALDH1A1TSHR
Methylamine SCHEMBL27506298 0.79
SCHEMBL3795943 0.78
Bicarbonate SCHEMBL10664237 0.78 ALDH1A1 (0.41) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11083192-B2 Fertilizer and agrochemical formulation MITSUI CHEMICALS AGRO, INC. (JP) 2021-08-10 US claimed
US-20190320651-A1 FERTILIZER AND AGROCHEMICAL FORMULATION MITSUI CHEMICALS AGRO, INC. (JP) 2019-10-24 US claimed
US-10375951-B2 Fertilizer and agrochemical formulation MITSUI CHEMICALS AGRO, INC. (JP) 2019-08-13 US claimed
US-20180139954-A1 FERTILIZER AND AGROCHEMICAL FORMULATION MITSUI CHEMICALS AGRO, INC. (JP) 2018-05-24 US claimed
WO-2016170784-A1 FERTILIZER AND AGROCHEMICAL FORMULATION MITSUI CHEMICALS AGRO, INC. (JP) 2016-10-27 WO claimed
CN-113767898-B Fertilizer and agrochemical formulations 三井化学AGRO株式会社 2023-01-17 CN disclosed
CN-113767898-A Fertilizer and agrochemical formulations 三井化学AGRO株式会社 2021-12-10 CN disclosed
CN-107787183-B Fertilizer and agrochemical formulations 三井化学AGRO株式会社 2021-10-08 CN disclosed
US-11083192-B2 Fertilizer and agrochemical formulation MITSUI CHEMICALS AGRO, INC. (JP) 2021-08-10 US disclosed
US-20190320651-A1 FERTILIZER AND AGROCHEMICAL FORMULATION MITSUI CHEMICALS AGRO, INC. (JP) 2019-10-24 US disclosed
US-10375951-B2 Fertilizer and agrochemical formulation MITSUI CHEMICALS AGRO, INC. (JP) 2019-08-13 US disclosed
US-20180139954-A1 FERTILIZER AND AGROCHEMICAL FORMULATION MITSUI CHEMICALS AGRO, INC. (JP) 2018-05-24 US disclosed
WO-2016170784-A1 FERTILIZER AND AGROCHEMICAL FORMULATION MITSUI CHEMICALS AGRO, INC. (JP) 2016-10-27 WO disclosed