SCHEMBL29944769

SCHEMBL29944769

C=C(C)C(=O)OCCCOCCCOCCCOCCCOCCCOCCCOP(=O)(O)O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
THRB P10828 1/20 0.47
LPAR3 Q9UBY5 8/20 0.42
LPAR2 Q9HBW0 6/20 0.42
LPAR1 Q92633 4/20 0.42
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 1/20 0.38
BTN3A1 O00481 1/20 0.34
LPAR5 Q9H1C0 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
SCHEMBL16545313 0.95 THRB (0.54) TSHRTHRBLPAR3LPAR2LPAR1
SCHEMBL15486 0.95 TSHR (0.55) TSHRTHRBLPAR3LPAR2LPAR1
Ammonia Solution, Strong SCHEMBL18140407 0.93 TSHR (0.53) TSHRTHRBLPAR3LPAR2LPAR1
SCHEMBL28864642 0.93 TSHR (0.53) TSHRTHRBLPAR3LPAR2LPAR1
Ammonia Solution, Strong SCHEMBL139046 0.93 TSHR (0.53) TSHRTHRBLPAR3LPAR2LPAR1
SCHEMBL28240307 0.93 TSHR (0.53) TSHRTHRBLPAR3LPAR2LPAR1
SCHEMBL8362158 0.93 TSHR (0.53) TSHRTHRBLPAR3LPAR2LPAR1
SCHEMBL40720 0.91 TSHR (0.59) TSHRTHRBLPAR3LPAR2LPAR1
Methacrylic Acid SCHEMBL17457864 0.90 TSHR (0.50) TSHRTHRBLPAR3LPAR2LPAR1
SCHEMBL15166 0.90 TSHR (0.62) TSHRTHRBLPAR3LPAR2LPAR1

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-2516493-B2 USE OF NETWORK COMPOSITIONS IN COSMETICS OR PERSONAL CARE PRODUCTS MOMENTIVE PERFORMANCE MAT INC (US) 2022-11-16 EP claimed
EP-2516493-B2 USE OF NETWORK COMPOSITIONS IN COSMETICS OR PERSONAL CARE PRODUCTS MOMENTIVE PERFORMANCE MAT INC (US) 2022-11-16 EP disclosed