Acrylonitrile

Acrylonitrile

SCHEMBL6554745

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

nearest known ligand 0.36

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Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
TSHR P16473 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
SCHEMBL285229 0.88 ALDH1A1 (0.46) ALDH1A1
SCHEMBL27466670 0.86 ALDH1A1 (0.44) ALDH1A1
Acrylonitrile SCHEMBL9747659 0.83 ALDH1A1 (0.45) ALDH1A1TSHR
SCHEMBL9114515 0.82 ALDH1A1 (0.58) ALDH1A1TSHR
Methacrylic Acid SCHEMBL9300136 0.79 ALDH1A1 (0.58) ALDH1A1TSHR
Methacrylic Acid SCHEMBL28021806 0.79 ALDH1A1 (0.58) ALDH1A1TSHR
Acrylonitrile SCHEMBL11124558 0.79 ALDH1A1 (0.35) ALDH1A1
Acrylonitrile SCHEMBL9330815 0.78 TSHR (0.42) ALDH1A1TSHR
Acrylonitrile SCHEMBL8642854 0.76 ALDH1A1 (0.33) ALDH1A1
Acrylonitrile SCHEMBL5382420 0.76 ALDH1A1 (0.65) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0841415-B1 Fine inorganic particles containing fibres and method for forming the same JAPAN EXLAN CO LTD (JP) 2004-02-25 EP disclosed
US-5928785-A ACRYLIC POLYMER WITH POLAR GROUPS SELECTED FROM SULFONIC ACID GROUP, CARBOXYL CROUP AND PHOSPHORIC ACID GROUP JAPAN EXLAN COMPANY LIMITED (JP) 1999-07-27 US disclosed
EP-0841415-A2 Fine inorganic particles containing fibres and method for forming the same JAPAN EXLAN COMPANY LIMITED (JP) 1998-05-13 EP disclosed