SCHEMBL3391334

SCHEMBL3391334

C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.Cl[Ru](Cl)=Cc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
HSP90AA1 P07900 2/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
THRB P10828 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
IDO1 P14902 2/20 0.31
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL539282 1.00 POLB (0.35) POLBGAAHSP90AA1MAPK1SMN1; SMN2
SCHEMBL20787645 0.83 POLB (0.35) POLBGAAHSP90AA1MAPK1SMN1; SMN2
SCHEMBL29534779 0.80 TSHR (0.33) MAPTTSHR
SCHEMBL27768847 0.80 HSP90AA1 (0.38) POLBGAAHSP90AA1MAPK1SMN1; SMN2
SCHEMBL1005974 0.79 POLB (0.33) POLBGAAHSP90AA1MAPK1SMN1; SMN2
SCHEMBL995991 0.79 NPC1 (0.33) KDM4EHPGDALDH1A1TSHR
SCHEMBL29533582 0.79 ROCK2 (0.31)
SCHEMBL5573655 0.77 STS (0.30)
SCHEMBL4266302 0.77 ALDH1A1 (0.41) POLBMAPK1SMN1; SMN2MAPTALDH1A1
SCHEMBL2868301 0.77 GAA (0.38) POLBGAAHSP90AA1MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4013736-A1 BRANCHED ALKANES AND PROCESS FOR PREPARING SAME L'OREAL (FR) 2022-06-22 EP claimed
CN-114502523-A Branched alkanes and process for their preparation 欧莱雅 2022-05-13 CN claimed
WO-2021032672-A1 BRANCHED ALKANES AND PROCESS FOR PREPARING SAME GLOBAL BIOENERGIES (FR) 2021-02-25 WO claimed
CN-106905482-B A kind of polymerizable composition, polymerizable composition and its composite material and preparation method 大连理工常熟研究院有限公司 2019-09-17 CN claimed
CN-110325591-B Rubber composition and crosslinked rubber 日本瑞翁株式会社 2024-07-09 CN disclosed
CN-118304387-A Polypeptide inhibitor targeting Wnt/beta-catenin pathway as well as preparation method and application thereof 复旦大学 2024-07-09 CN disclosed
CN-114787232-B Ring-opened copolymer 日本瑞翁株式会社 2024-06-07 CN disclosed
CN-117756986-A Cycloolefin copolymer, preparation method thereof, cycloolefin copolymer hydride and optical material 杭州睿丰融创科技有限公司 2024-03-26 CN disclosed
CN-116496446-B Norbornene hydrogenated ring-opening polymer, preparation method thereof and optical material 杭州睿丰融创科技有限公司 2024-03-22 CN disclosed
CN-109312144-B Rubber crosslinked material 日本瑞翁株式会社 2024-01-30 CN disclosed
CN-112543780-B Cyclic olefin ring-opened copolymer, process for producing the same, rubber composition, and rubber crosslinked product 日本瑞翁株式会社 2024-01-05 CN disclosed
CN-114945644-B Adhesive composition 日本瑞翁株式会社 2023-11-28 CN disclosed
CN-1639105-A Reactive diluents and alkyd coating compositions CIBA SC HOLDING AG (CH) 2005-07-13 CN disclosed
WO-2005049585-A1 MACROCYCLIC LACTAMS AND PHARMACEUTICAL USE THEREOF NOVARTIS AG (CH) 2005-06-02 WO disclosed
CN-1514852-A Low molecular weight hydrogenated nitrile rubber 2004-07-21 CN disclosed
EP-1268450-A1 LACTAMS SUBSTITUTED BY CYCLIC SUCCINATES AS INHIBITORS OF A-BETA PROTEIN PRODUCTION Bristol-Myers Squibb Pharma Company (US) 2003-01-02 EP disclosed
CN-1350458-A Protease inhibitors SMITHKLINE BEECHAM CORP (US) 2002-05-22 CN disclosed
EP-1197509-A1 PROCESS FOR PRODUCING HYDROGENATED RING-OPENING POLYMERIZATION POLYMER OF CYCLOOLEFIN Nippon Zeon Co., Ltd. (JP) 2002-04-17 EP disclosed
WO-2001092235-A1 LACTAMS SUBSTITUTED BY CYCLIC SUCCINATES AS INHIBITORS OF Aβ PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-12-06 WO disclosed
CN-1269810-A Photoresist compositions comprising polycyclic polymers with acid labile pendant groups GOODRICH CO B F (US) 2000-10-11 CN disclosed