SCHEMBL5706303

SCHEMBL5706303

CC1CCC(C(C)C)[C](CCCO)C1

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
SCHEMBL4088275 0.76
SCHEMBL21611735 0.75
SCHEMBL3475452 0.75
SCHEMBL9654791 0.74
SCHEMBL4258104 0.72 NPC1 (0.37)
SCHEMBL1697828 0.69 TRPA1 (0.35)
SCHEMBL28178876 0.68
SCHEMBL2121390 0.67 NOS3 (0.35)
SCHEMBL581261 0.67 NPC1 (0.41)
SCHEMBL8444804 0.65 NPC1 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6589507-B1 Foaming antacid suspension tablets DR. REGENOLD GMBH (DE) 2003-07-08 US claimed
US-9757415-B2 Composition comprising solanum glaucophyllum for preventing and/or treating hypocalcaemia and for stabilizing blood calcium levels HERBONIS AG (CH) 2017-09-12 US disclosed
US-20170156837-A1 DISPENSER AND METHOD FOR APPLYING A TOOTH WHITENING COMPOSITION COLGATE PALMOLIVE CO (US) 2017-06-08 US disclosed
US-9610148-B2 Applicator and method for applying a tooth whitening composition COLGATE-PALMOLIVE COMPANY (US) 2017-04-04 US disclosed
US-20140356807-A1 APPLICATOR AND METHOD FOR APPLYING A TOOTH WHITENING COMPOSITION COLGATE PALMOLIVE CO (US) 2014-12-04 US disclosed
US-20140322322-A1 COMPOSITION COMPRISING SOLANUM GLAUCOPHYLLUM FOR PREVENTING AND/OR TREATING HYPOCALCAEMIA AND FOR STABILIZING BLOOD CALCIUM LEVELS HERBONIS AG (CH) 2014-10-30 US disclosed
US-8815216-B2 Applicator and method for applying a tooth whitening composition COLGATE-PALMOLIVE COMPANY (US) 2014-08-26 US disclosed
CN-101161244-A Nimodipine tablet and its preparing method SHANGHAI SHIKANGTE PHARMACEUTI (CN) 2008-04-16 CN disclosed
US-20060275225-A1 Applicator and method for applying a tooth whitening composition PRENCIPE MICHAEL 2006-12-07 US disclosed
EP-1686919-A1 AN APPLICATOR AND METHOD FOR APPLYING A TOOTH WHITENING COMPOSITION Colgate-Palmolive Company (US) 2006-08-09 EP disclosed
CN-1245976-C Pharmaceutical formulations in hydroxypropylmenthyl cellulose capsules PHARMACIA & UPJOHN SPA (IT) 2006-03-22 CN disclosed
WO-2005037127-A1 AN APPLICATOR AND METHOD FOR APPLYING A TOOTH WHITENING COMPOSITION COLGATE-PALMOLIVE COMPANY (US) 2005-04-28 WO disclosed
WO-2005019176-A1 SUBSTITUTED AMINO-AZA-CYCLOHEXANES ACTELION PHARMACEUTICALS LTD (CH) 2005-03-03 WO disclosed
CN-1327387-A Pharmaceutical formulations in the form of hydroxypropylmethylcellulose capsules PHARMACIA & UPJOHN SPA (IT) 2001-12-19 CN disclosed
CN-2323782-Y Constant release paster for metoprolol WANG LIXIA (CN) 1999-06-16 CN disclosed
WO-1990002133-A1 METHOD FOR PREPARING SUCRALFATE AND AAI-10001 FORMULATIONS DEVELOPMENT LABORATORIES, INC. (US) 1990-03-08 WO disclosed