SCHEMBL8844830

SCHEMBL8844830

CCCCCCP(CCC#N)CCC#N

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
THRB P10828 1/20 0.36
DNM1 Q05193 2/20 0.32
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
APAF1 O14727 1/20 0.30
HSP90AA1 P07900 1/20 0.30
RAD52 P43351 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
SCHEMBL8845324 1.00 TSHR (0.50) TSHRTHRBDNM1ALDH1A1TDP1
SCHEMBL8844596 0.91 TSHR (0.55) TSHRALDH1A1TDP1
SCHEMBL24123703 0.89 TSHR (0.48) TSHR
SCHEMBL24347059 0.87 TSHR (0.46) TSHR
SCHEMBL27398529 0.86 TSHR (0.56) TSHRTHRBDNM1ALDH1A1TDP1
SCHEMBL25837743 0.84 TSHR (0.46) TSHRALDH1A1TDP1
SCHEMBL24250485 0.83 MAPT (0.38) TSHRALDH1A1TDP1
Water SCHEMBL27339207 0.83 TSHR (0.53) TSHRTHRBDNM1ALDH1A1
Water SCHEMBL19640963 0.83 TSHR (0.53) TSHRTHRBDNM1ALDH1A1
SCHEMBL24347921 0.82 TSHR (0.44) 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
EP-4246641-A1 ELECTROLYTE, AS WELL AS ELECTROCHEMICAL APPARATUS AND ELECTRONIC APPARATUS CONTAINING THE SAME Ningde Amperex Technology Ltd. (CN) 2023-09-20 EP 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