SCHEMBL28871197

SCHEMBL28871197

C=C(C)C(=O)NCCO[PH](=O)O

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TGFBR1 P36897 1/20 0.31

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
SCHEMBL30678279 0.89 ALDH1A1 (0.36) THRBALDH1A1
SCHEMBL27972435 0.87 THRB (0.32) THRBMEN1KMT2AALDH1A1TGFBR1
Trimethylammonium SCHEMBL20239685 0.84 ALDH1A1 (0.33) ALDH1A1
Trimethylammonium SCHEMBL29098767 0.84 ALDH1A1 (0.33) ALDH1A1
SCHEMBL12036308 0.80 MEN1 (0.47) THRBMEN1KMT2AALDH1A1TGFBR1
SCHEMBL13862904 0.78 MEN1 (0.50) THRBMEN1KMT2AALDH1A1TGFBR1
SCHEMBL18016179 0.78 MEN1 (0.50) THRBMEN1KMT2AALDH1A1TGFBR1
SCHEMBL150973 0.76 TDP1 (0.45) THRBMEN1KMT2AALDH1A1
SCHEMBL4873895 0.75 TSHR (0.33) THRB
SCHEMBL316224 0.75 TGFBR1 (0.41) THRBALDH1A1TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110431156-A Solidification compound TOKUYAMA DENTAL CORP 2019-11-08 CN disclosed
CN-109890343-A curable composition 株式会社德山齿科 2019-06-14 CN disclosed
CN-109640924-A Photocurable composition 株式会社德山齿科 2019-04-16 CN disclosed