SCHEMBL18171697

SCHEMBL18171697

C=C(C#N)C(=O)O.N#C/C=C(\N)C(=O)O

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
TSHR P16473 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
SCHEMBL435589 0.85
SCHEMBL435588 0.85
SCHEMBL10422 0.78
Water SCHEMBL21525772 0.78
SCHEMBL20472689 0.78 ALDH1A1 (0.42) ALDH1A1TSHR
Water SCHEMBL27627574 0.78 ALDH1A1 (0.42) ALDH1A1TSHR
Acrylamide SCHEMBL9960471 0.77 ALDH1A1 (0.50) ALDH1A1TSHR
SCHEMBL9069608 0.76 ALDH1A1 (0.34) ALDH1A1TSHR
SCHEMBL9816901 0.76 ALDH1A1 (0.34) ALDH1A1TSHR
Methylamine SCHEMBL27506298 0.75

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 11 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
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