SCHEMBL11239487

SCHEMBL11239487

C=C(C)C(=O)OCCCCCCOCCCCCC

nearest known ligand 0.89

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.89
THRB P10828 2/20 0.56
CES2 O00748 2/20 0.53
NAAA Q02083 1/20 0.50
HTT P42858 2/20 0.49
POLB P06746 1/20 0.49
APEX1 P27695 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
RAD52 P43351 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
EPHX1 P07099 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPT P10636 1/20 0.47
ALDH1A1 P00352 2/20 0.45
HCAR2 Q8TDS4 1/20 0.43
FAAH O00519 1/20 0.42
LMNA P02545 1/20 0.42
ACHE P22303 1/20 0.42

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
SCHEMBL11232939 0.98 TSHR (0.86) TSHRTHRBCES2NAAAHTT
SCHEMBL28204132 0.98 TSHR (0.86) TSHRTHRBCES2NAAAHTT
SCHEMBL10772768 0.98 TSHR (0.86) TSHRTHRBCES2NAAAHTT
SCHEMBL28224639 0.96 TSHR (0.82) TSHRTHRBCES2NAAAHTT
SCHEMBL19077765 0.95 TSHR (0.79) TSHRTHRBCES2NAAAHTT
SCHEMBL19077763 0.95 TSHR (0.79) TSHRTHRBCES2NAAAHTT
SCHEMBL5458580 0.95 TSHR (0.79) TSHRTHRBCES2NAAAHTT
SCHEMBL5455892 0.95 TSHR (0.79) TSHRTHRBCES2NAAAHTT
SCHEMBL874556 0.95 TSHR (0.79) TSHRTHRBCES2NAAAHTT
SCHEMBL5454703 0.95 TSHR (0.79) TSHRTHRBCES2NAAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250135059-A1 COMPOSITIONS COMPRISING FRAGRANCE MATERIALS THE PROCTER & GAMBLE COMPANY 2025-05-01 US disclosed
US-4357435-A Novel polymers of alkyl methacrylates ROHM AND HAAS COMPANY (US) 1982-11-02 US disclosed
US-4336345-A Composition comprising condensation cross-linkable novel methacrylate polymers ROHM AND HAAS COMPANY (US) 1982-06-22 US disclosed
US-4226753-A Novel methacrylic polymers having condensation-crosslinkable functionality ROHM AND HAAS COMPANY (US) 1980-10-07 US disclosed
US-4103093-A CHAIN REGULATING ALCOHOL, ALKOXIDE CATALYST ROHM AND HAAS COMPANY (US) 1978-07-25 US disclosed
US-4056559-A ANIONIC POLYMERIZATION ROHM AND HAAS COMPANY (US) 1977-11-01 US disclosed