SCHEMBL29426348

SCHEMBL29426348

CCCCOC(CCCCCCCCCCCCCCCCC(=O)[O-])(OCCCC)OCCCC.CCCCOC(CCCCCCCCCCCCCCCCC(=O)[O-])(OCCCC)OCCCC.CCCCOC(CCCCCCCCCCCCCCCCC(=O)[O-])(OCCCC)OCCCC.CCCCOC(CCCCCCCCCCCCCCCCC(=O)[O-])(OCCCC)OCCCC.[Ti+4]

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.47
FABP3 P05413 7/20 0.46
CES2 O00748 3/20 0.39
CES1 P23141 3/20 0.39
PPARG P37231 1/20 0.39
DGKA P23743 1/20 0.38
FFAR3 O14843 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
NFKB1 P19838 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
SCHEMBL29406516 0.97 CA1 (0.47) CA1FABP3CES2CES1PPARG
Stearic Acid SCHEMBL5280838 0.78 FABP3 (0.69) CA1FABP3CES2CES1FFAR3
Heptadecanoic Acid SCHEMBL869938 0.75 FABP3 (0.72) CA1FABP3CES2CES1FFAR3
Behenic Acid SCHEMBL3452341 0.75 FABP3 (0.72) CA1FABP3CES2CES1FFAR3
N-Octacosanoic Acid SCHEMBL945953 0.75 FABP3 (0.72) CA1FABP3CES2CES1FFAR3
Stearic Acid SCHEMBL12487272 0.75 FABP3 (0.72) CA1FABP3CES2CES1FFAR3
Pentadecanoic Acid SCHEMBL870275 0.75 FABP3 (0.72) CA1FABP3CES2CES1FFAR3
Decanoic Acid SCHEMBL9239460 0.75 FABP3 (0.72) CA1FABP3CES2CES1FFAR3
Stearic Acid SCHEMBL5032895 0.75 FABP3 (0.72) CA1FABP3CES2CES1FFAR3
Dodecanoate SCHEMBL914943 0.75 FABP3 (0.72) CA1FABP3CES2CES1FFAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3733756-B1 TREAD RUBBER COMPOSITION FOR STUDLESS WINTER TIRES SUMITOMO RUBBER IND (JP) 2026-01-28 EP disclosed
US-12415907-B2 Rubber composition and run-flat tire BRIDGESTONE CORPORATION (JP) 2025-09-16 US disclosed
EP-3725839-B1 RUBBER COMPOSITION AND TIRE USING SAME BRIDGESTONE CORP (JP) 2024-10-30 EP disclosed
US-12018152-B2 Polybutadiene composition and method for producing same ENEOS MATERIALS CORPORATION (JP) 2024-06-25 US disclosed
EP-3896100-B1 POLYBUTADIENE COMPOSITION AND METHOD FOR PRODUCING SAME ENEOS MAT CORPORATION (JP) 2023-06-21 EP disclosed
CN-110540679-B Rubber composition for tire and pneumatic tire 住友橡胶工业株式会社 2023-03-31 CN disclosed
US-11613144-B2 Pneumatic tire BRIDGESTONE CORPORATION (JP) 2023-03-28 US disclosed
CN-110540687-B Rubber composition for tire and pneumatic tire 住友橡胶工业株式会社 2023-03-10 CN disclosed
US-20220363093-A1 RUN-FLAT TIRE BRIDGESTONE CORPORATION (JP) 2022-11-17 US disclosed
US-20220348746-A1 RUBBER COMPOSITION AND RUN-FLAT TIRE BRIDGESTONE CORPORATION (JP) 2022-11-03 US disclosed
US-11433705-B2 Studless tire SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2022-09-06 US disclosed
EP-4039503-A1 RUBBER COMPOSITION AND RUN-FLAT TIRE BRIDGESTONE CORPORATION (JP) 2022-08-10 EP disclosed
EP-4039502-A1 RUN-FLAT TIRE BRIDGESTONE CORPORATION (JP) 2022-08-10 EP disclosed
US-11267285-B2 Rubber composition for tires and pneumatic tire SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2022-03-08 US disclosed