SCHEMBL8844737

SCHEMBL8844737

CCP(=O)(CCC#N)CCC#N

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
NLRP3 Q96P20 1/20 0.33

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
SCHEMBL24623961 0.85 TSHR (0.46) TSHRALDH1A1TDP1NLRP3
SCHEMBL517724 0.83 ALDH1A1 (0.44) TSHRALDH1A1TDP1NLRP3
SCHEMBL25837817 0.82 TSHR (0.42) TSHRALDH1A1TDP1NLRP3
SCHEMBL11315119 0.82 TSHR (0.42) TSHRALDH1A1TDP1NLRP3
SCHEMBL11355044 0.80 ALDH1A1 (0.41) TSHRALDH1A1TDP1NLRP3
SCHEMBL24624045 0.80 ALDH1A1 (0.41) TSHRALDH1A1TDP1NLRP3
SCHEMBL24624356 0.80 ALDH1A1 (0.41) TSHRALDH1A1TDP1NLRP3
SCHEMBL25837819 0.80 TSHR (0.40) TSHRALDH1A1TDP1NLRP3
SCHEMBL8845351 0.78 TSHR (0.50) TSHR
SCHEMBL24624359 0.76 ALDH1A1 (0.37) TSHRALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220223914-A1 ELECTROLYTE, ELECTROCHEMICAL DEVICE, AND ELECTRONIC DEVICE NINGDE AMPEREX TECHNOLOGY LIMITED (CN) 2022-07-14 US disclosed
US-5679849-A Method of producing a bis(2-carboxyethyl)alkyl phosphine oxide and a derivative thereof NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) 1997-10-21 US disclosed