SCHEMBL28627527

SCHEMBL28627527

FC(F)(F)c1cccc(C(c2ccc(OCC3CO3)cc2)C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ TP53 P04637 3/20 0.47
▸ TSHR P16473 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ HIF1A Q16665 2/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ MAPT P10636 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ PPARG P37231 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ GRM2 Q14416 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ PNMT P11086 1/20 0.37
▸ MAOB P27338 3/20 0.37

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
SCHEMBL19439764 0.86 ALDH1A1 (0.55) KMT2AMEN1TP53TSHRALDH1A1
SCHEMBL24340930 0.79 TP53 (0.70) KMT2AMEN1TP53TSHRALDH1A1
SCHEMBL5513268 0.79 TP53 (0.70) KMT2AMEN1TP53TSHRALDH1A1
SCHEMBL11742141 0.79 KMT2A (0.53) KMT2AMEN1TP53TSHRALDH1A1
SCHEMBL7966123 0.76 ALDH1A1 (0.70) KMT2AMEN1TP53TSHRALDH1A1
SCHEMBL2335516 0.76 ALDH1A1 (0.70) KMT2AMEN1TP53TSHRALDH1A1
SCHEMBL3693659 0.76 ALDH1A1 (0.70) KMT2AMEN1TP53TSHRALDH1A1
SCHEMBL2892042 0.75 ALDH1A1 (0.55) KMT2AMEN1TP53TSHRALDH1A1
SCHEMBL1152537 0.73 TDP1 (0.56) KMT2AMEN1TP53TSHRALDH1A1
SCHEMBL11742879 0.72 TP53 (0.64) KMT2AMEN1TP53TSHRALDH1A1

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
CN-113443984-A Vinyl fluorine-containing epoxy carboxylate intermediate, water-soluble fluorine modified acrylate, preparation method and acrylate coating 清远市柯林达新材料有限公司 2021-09-28 — — CN claimed
CN-113443984-A Vinyl fluorine-containing epoxy carboxylate intermediate, water-soluble fluorine modified acrylate, preparation method and acrylate coating 清远市柯林达新材料有限公司 2021-09-28 — — CN disclosed
Send feedback