SCHEMBL4537064

SCHEMBL4537064

C=CCC(/C=C\C)(C(=O)O)C(C(=O)O)S(=O)(=O)O

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
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
SCHEMBL88776 0.76 ALDH1A1 (0.33) ALDH1A1TSHR
Ammonia Solution, Strong SCHEMBL7197481 0.75 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL1801980 0.72
SCHEMBL3395723 0.71
SCHEMBL1802046 0.70 ALDH1A1 (0.30) ALDH1A1TSHR
SCHEMBL3662934 0.68 ZDHHC20 (0.33) ALDH1A1TSHR
SCHEMBL4805557 0.68 ZDHHC20 (0.33) ALDH1A1TSHR
SCHEMBL3373610 0.67 HTT (0.33) ALDH1A1TSHR
SCHEMBL4537068 0.66
SCHEMBL11826611 0.64 TSHR (0.37) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230094605-A1 RESIN EMULSION FOR WATER-BASED INK NIPPON SHOKUBAI CO., LTD. (JP) 2023-03-30 US disclosed
CN-115003765-A Ink for ink jet 株式会社日本触媒 2022-09-02 CN disclosed
CN-113365831-A Emulsion for aqueous ink, and ink composition for aqueous ink containing same 株式会社日本触媒 2021-09-07 CN disclosed
WO-2021153288-A1 RESIN EMULSION FOR WATER-BASED INK 株式会社日本触媒 2021-08-05 WO disclosed
WO-2021149548-A1 INK-JET INK 株式会社日本触媒 2021-07-29 WO disclosed
WO-2021095604-A1 AQUEOUS POLYMER EMULSION, METHOD FOR PRODUCING SAME, AND COSMETICS 東亞合成株式会社 2021-05-20 WO disclosed
US-20090286933-A1 EMULSION FOR VIBRATING DAMPING MATERIALS NIPPON SHOKUBAI CO., LTD. (JP) 2009-11-19 US disclosed