SCHEMBL29834279

SCHEMBL29834279

CCCC(=O)Cl.CCCC[B-](c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.45
▸ ALDH1A1 P00352 4/20 0.42
▸ TP53 P04637 2/20 0.42
▸ CES2 O00748 4/20 0.40
▸ CES1 P23141 4/20 0.40
▸ HPGD P15428 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MAPT P10636 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL225939 0.82 TSHR (0.38) TSHRTP53CES2CES1SMN1; SMN2
SCHEMBL8772308 0.80 TSHR (0.37) TSHRTP53CES2CES1SMN1; SMN2
Lithium Ion SCHEMBL503758 0.80 TSHR (0.37) TSHRTP53CES2CES1SMN1; SMN2
SCHEMBL7092511 0.80 TSHR (0.37) TSHRTP53CES2CES1SMN1; SMN2
SCHEMBL5078343 0.80 TSHR (0.37) TSHRTP53CES2CES1SMN1; SMN2
Ammonia Solution, Strong SCHEMBL9771941 0.80 TSHR (0.37) TSHRTP53CES2CES1SMN1; SMN2
Benzophenone SCHEMBL31697705 0.80 ALDH1A1 (0.53) ALDH1A1CES2CES1HPGDL3MBTL1
Biphenyl SCHEMBL27556919 0.79 TSHR (0.61) TSHRALDH1A1TP53CES2CES1
Ammonia Solution, Strong SCHEMBL8571366 0.79 TSHR (0.36) TSHRALDH1A1CES2CES1SMN1; SMN2
Tert-Butylamine SCHEMBL30988509 0.78 TSHR (0.33) TSHRCES2CES1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022169307-A1 PHOTOPOLYMER COMPOSITION FOR HOLOGRAM FORMATION, HOLOGRAM RECORDING MEDIUM AND OPTICAL DEVICE 주식회사 엘지화학 2022-08-11 — — WO disclosed
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