SCHEMBL17100041

SCHEMBL17100041

C=C(C)C(=O)OCC(CCCCCCCCCC)OCCCCCCCCCCCCCC

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.61
▸ LPAR1 Q92633 3/20 0.41
▸ LPAR3 Q9UBY5 3/20 0.41
▸ TLR2 O60603 6/20 0.41
▸ DNM1 Q05193 1/20 0.40
▸ THRB P10828 1/20 0.39
▸ 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 0.39
▸ LMNA P02545 1/20 0.39
▸ LPAR2 Q9HBW0 1/20 0.38

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
SCHEMBL16328964 0.86 TSHR (0.50) TSHRTLR2THRBPOLBAPEX1
SCHEMBL27370395 0.85 TSHR (0.56) TSHRLPAR1LPAR3THRBALDH1A1
SCHEMBL27370417 0.85 TSHR (0.56) TSHRLPAR1LPAR3ALDH1A1LMNA
SCHEMBL27370412 0.85 TSHR (0.56) TSHRLPAR1LPAR3THRBALDH1A1
SCHEMBL730808 0.85 TSHR (0.56) TSHRLPAR1LPAR3THRBALDH1A1
SCHEMBL10001565 0.85 TSHR (0.65) TSHRTLR2THRBPOLBAPEX1
SCHEMBL27370383 0.85 TSHR (0.56) TSHRLPAR1LPAR3THRBALDH1A1
SCHEMBL730544 0.85 TSHR (0.56) TSHRLPAR1LPAR3THRBALDH1A1
SCHEMBL22207427 0.85 TSHR (0.56) TSHRLPAR1LPAR3THRBALDH1A1
SCHEMBL14378449 0.83 TSHR (0.52) TSHRLPAR1LPAR3TLR2THRB

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
US-20170088789-A1 LUBRICANTS CONTAINING BLENDS OF POLYMERS THE LUBRIZOL CORPORATION 2017-03-30 — — US disclosed
EP-3119860-A1 LUBRICANTS CONTAINING BLENDS OF POLYMERS The Lubrizol Corporation (US) 2017-01-25 — — EP disclosed
WO-2015142482-A1 LUBRICANTS CONTAINING BLENDS OF POLYMERS THE LUBRIZOL CORPORATION (US) 2015-09-24 — — WO disclosed
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