SCHEMBL5688

SCHEMBL5688

C[C](C)CC1CCC1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL5021 0.94
SCHEMBL3032405 0.91 EPHX1 (0.43)
SCHEMBL9253989 0.91 EPHX1 (0.43)
SCHEMBL5117 0.91 EPHX1 (0.43)
SCHEMBL95966 0.91 EPHX1 (0.43)
SCHEMBL5708 0.91 EPHX1 (0.43)
SCHEMBL9979182 0.91 EPHX1 (0.43)
SCHEMBL349125 0.87
SCHEMBL10406145 0.80 POLB (0.30)
SCHEMBL8608130 0.80 TRPA1 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105764341-A Use of substituted dihydrooxindole sulfonamides or salts thereof for increasing stress tolerance in plants 拜耳作物科学股份公司 2016-07-13 CN claimed
US-7872009-B2 Beta-Secretase modulators and methods of use AMGEN INC. (US) 2011-01-18 US claimed
CN-109642065-B Rigid propylene compositions with good dimensional stability and excellent surface appearance 博里利斯股份公司 2021-07-27 CN disclosed
CN-108137886-B Long chain branched polypropylene compositions with increased melt strength stability 博里利斯股份公司 2021-05-04 CN disclosed
EP-2785695-B1 NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-06-17 EP disclosed
EP-3653618-A1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2020-05-20 EP disclosed
EP-2755963-B1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2019-10-30 EP disclosed
EP-3215505-B1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE Bayer Pharma AG (DE) 2019-07-24 EP disclosed
CN-108778273-A bicyclic aryl monocyclic β -lactam compounds and methods of use thereof for treating bacterial infections 默沙东公司 2018-11-09 CN disclosed
US-10118930-B2 Piperidinylpyrazolopyrimidinones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-11-06 US disclosed
CN-105612153-B Substituted heterocyclic sulfonamide compound as TRPA1 conditioning agents 豪夫迈·罗氏有限公司 2018-09-14 CN disclosed
US-20040043903-A1 Herbicides; applying to plants BASF AKTIENGESELLSCHAFT (DE) 2004-03-04 US disclosed
US-20040023807-A1 3-Arylisothiazoles and their use as herbicides BASF AKTIENGESELLSCHAFT (DE) 2004-02-05 US disclosed
US-20030216257-A1 1-aryl-4-alkyl halide-2(1h)-pyridones and their use as herbicides BASF AKTIENGESELLSCHAFT (DE) 2003-11-20 US disclosed
US-20030050477-A1 Method for producing 7-(pyrazole-3-yl) benzoxazoles BASF AKTIENGESELLSCHAFT (DE) 2003-03-13 US disclosed
WO-2002094797-A1 OXAZIN(THI)ONE COMPOUNDS USED AS FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 2002-11-28 WO disclosed
US-6277790-B1 APPLYING PLANTS, SEEDS, SOILS OR ENVIRONMENT BASF AKTIENGESELLSCHAFT (DE) 2001-08-21 US disclosed
US-6054412-A AGRICULTURE, HORTICULTURE BASF AKTIENGESELLSCHAFT (DE) 2000-04-25 US disclosed
US-6054413-A AGRICULTURE, HORTICULTURE BASF AKTIENGESELLSCHAFT (DE) 2000-04-25 US disclosed
US-4569942-A N,3-Disubstituted 2-oxindole-1-carboxamides as analgesic and antiinflammatory agents PFIZER INC. (US) 1986-02-11 US disclosed