SCHEMBL450897

SCHEMBL450897

CC(=O)C(CC(C)C)C(C)=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
RNPEP Q9H4A4 1/20 0.42
SLC7A5 Q01650 1/20 0.42
KISS1R Q969F8 4/20 0.40
CACNA2D1 P54289 2/20 0.36
CACNB3 P54284 1/20 0.36
CACNA1C Q13936 1/20 0.36
PGR P06401 1/20 0.36
ADRA1A P35348 1/20 0.36
HTR2B P41595 1/20 0.36
CACNA2D2 Q9NY47 1/20 0.36
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
ANPEP P15144 3/20 0.35
LAP3 P28838 2/20 0.35
ERAP1 Q9NZ08 1/20 0.35
MME P08473 1/20 0.34
MMP8 P22894 1/20 0.34

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
SCHEMBL180035 0.88 RNPEP (0.50) ALDH1A1TDP1RNPEPSLC7A5CACNA2D1
Hydrochloric Acid SCHEMBL27761977 0.86 RNPEP (0.48) ALDH1A1TDP1RNPEPSLC7A5KISS1R
SCHEMBL8459303 0.84 ALDH1A1 (0.36) ALDH1A1TDP1RNPEPSLC7A5KISS1R
SCHEMBL28071461 0.84 SLC7A5 (0.41) ALDH1A1TDP1RNPEPSLC7A5KISS1R
SCHEMBL11387092 0.83 LMNA (0.36) ALDH1A1TDP1KISS1R
SCHEMBL11059850 0.82 CA2 (0.37) ALDH1A1TDP1RNPEPSLC7A5KISS1R
SCHEMBL4135108 0.80 MME (0.51) ALDH1A1KISS1RMME
SCHEMBL27426154 0.80 KISS1R (0.33) ALDH1A1TDP1RNPEPSLC7A5KISS1R
SCHEMBL8461255 0.80 KISS1R (0.37) ALDH1A1TDP1RNPEPSLC7A5KISS1R
SCHEMBL179900 0.78 ALDH1A1 (0.42) ALDH1A1TDP1MMEMMP8

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 213 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4702030-A1 CATALYSTS FOR ROOM TEMPERATURE VULCANISABLE (RTV) SILICONE COMPOSITIONS Dow Silicones Corporation (US) 2026-03-04 EP claimed
EP-4702029-A1 CATALYSTS FOR ROOM TEMPERATURE VULCANISABLE (RTV) SILICONE COMPOSITIONS Dow Silicones Corporation (US) 2026-03-04 EP claimed
WO-2024221367-A1 CATALYSTS FOR ROOM TEMPERATURE VULCANISABLE (RTV) SILICONE COMPOSITIONS DOW SILICONES CORPORATION (US) 2024-10-31 WO claimed
WO-2024221368-A1 CATALYSTS FOR ROOM TEMPERATURE VULCANISABLE (RTV) SILICONE COMPOSITIONS DOW SILICONES CORPORATION (US) 2024-10-31 WO claimed
CN-113816907-B Cyclic trinuclear cuprous complex and application thereof in OLED 暨南大学 2023-04-07 CN claimed
EP-2935490-B1 ORGANOPOLYSILOXANE COMPOSITION SUITABLE FOR VULCANISATION INTO AN ELASTOMER AT ROOM TEMPERATURE AND NEW ORGANOPOLYSILOXANE POLYCONDENSATION CATALYSTS ELKEM SILICONES FRANCE SAS (FR) 2022-12-21 EP claimed
CN-113816907-A Cyclic trinuclear cuprous complex and application thereof in OLED 暨南大学 2021-12-21 CN claimed
CN-107075120-B Silicone composition crosslinking catalyst 埃肯有机硅法国有限公司 2021-02-26 CN claimed
EP-3385304-B1 ORGANOPOLYSILOXANE COMPOSITION WHICH CAN BE VULCANISED AT AMBIENT TEMPERATURE IN ELASTOMER ELKEM SILICONES FRANCE SAS (FR) 2020-07-15 EP claimed
US-10308770-B2 Silicone composition crosslinking catalysts ELKEN SILICONES FRANCE SAS (FR) 2019-06-04 US claimed
EP-2222626-A1 ROOM-TEMPERATURE VULCANISABLE ORGANOPOLYSILOXANE COMPOUND TO GIVE AN ELASTOMER AND NOVEL ORGANOPOLYSILOXANE POLYCONDENSATION CATALYSTS Bluestar Silicones France (FR) 2010-09-01 EP claimed
EP-2222771-A1 ORGANOPOLYSILOXANE COMPOSITION ROOM TEMPERATURE VULCANIZABLE TO ELASTOMER AND NEW ORGANOPOLYSILOXANE POLYCONDENSATION CATALYSTS Bluestar Silicones France (FR) 2010-09-01 EP claimed
WO-2010043354-A1 NOVEL CATALYSTS FOR THE REACTION BETWEEN AN ISOCYANATE AND AN ALCOHOL BLUESTAR SILICONES FRANCE (FR) 2010-04-22 WO claimed
WO-2009106722-A1 ORGANOPOLYSILOXANE COMPOSITION ROOM TEMPERATURE VULCANIZABLE TO ELASTOMER AND NEW ORGANOPOLYSILOXANE POLYCONDENSATION CATALYSTS BLUESTAR SILICONES FRANCE (FR) 2009-09-03 WO claimed
WO-2009106718-A1 ROOM-TEMPERATURE VULCANISABLE ORGANOPOLYSILOXANE COMPOUND TO GIVE AN ELASTOMER AND NOVEL ORGANOPOLYSILOXANE POLYCONDENSATION CATALYSTS BLUESTAR SILICONES FRANCE (FR) 2009-09-03 WO claimed
WO-2009106719-A1 ROOM-TEMPERATURE VULCANISABLE ORGANOPOLYSILOXANE COMPOUND TO GIVE AN ELASTOMER AND NOVEL ORGANOPOLYSILOXANE POLYCONDENSATION CATALYSTS BLUESTAR SILICONES FRANCE (FR) 2009-09-03 WO claimed
WO-2009106723-A1 ORGANOPOLYSILOXANE COMPOSITION ROOM TEMPERATURE VULCANIZABLE TO ELASTOMER AND NEW ORGANOPOLYSILOXANE POLYCONDENSATION CATALYSTS BLUESTAR SILICONES FRANCE (FR) 2009-09-03 WO claimed
US-5877210-A CONTROLLING IMMUNE RESPONSE BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-02 US claimed
US-5583242-A VANADYL COMPLEXES BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-10 US claimed
US-5565491-A FOR TREATMENT OF DISEASES MARKED BY MALIGNANT PROLIFERATION OF B CELLS, SUCH AS LEUKEMIA AND LYMPHOMAS; ANTICARCINOGENIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1996-10-15 US claimed