SCHEMBL1402345

SCHEMBL1402345

CC[C](C)CC(C)C

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
SCHEMBL4654319 0.82 ALDH1A1 (0.53)
SCHEMBL23069457 0.75
SCHEMBL10493687 0.75
SCHEMBL4618906 0.75
SCHEMBL9763916 0.75
SCHEMBL11058788 0.73
SCHEMBL27772903 0.73 ALDH1A1 (0.39)
SCHEMBL7797804 0.71
SCHEMBL11568145 0.71 CES1 (0.39)
SCHEMBL5048524 0.69 CES2 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240052486-A1 PRECURSORS FOR DEPOSITION OF MOLYBDENUM-CONTAINING FILMS LAM RES CORP (US) 2024-02-15 US claimed
US-20210013491-A1 NANOSILICON MATERIAL PREPARATION FOR FUNCTIONALIZED GROUP IVA PARTICLE FRAMEWORKS PARACLETE ENERGY, INC. 2021-01-14 US claimed
EP-2752419-B1 SPIROBENZYLAMINE-PHOSPHINE, PREPARATION METHOD THEREFOR AND USE THEREOF ZHEJIANG JIUZHOU PHARM CO LTD (CN) 2019-01-02 EP claimed
US-20170338476-A1 NANOSILICON MATERIAL PREPARATION FOR FUNCTIONALIZED GROUP IVA PARTICLE FRAMEWORKS PARACLETE ENERGY, INC. 2017-11-23 US claimed
US-20150243973-A1 NANOSILICON MATERIAL PREPARATION FOR FUNCTIONALIZED GROUP IVA PARTICLE FRAMEWORKS PARACLETE ENERGY, INC. 2015-08-27 US claimed
US-9108995-B2 Spirobenzylamine-phosphine, preparation method therefor and use thereof ZHEJIANG JIUZHOU PHARMACEUTICAL CO., LTD. (CN) 2015-08-18 US claimed
EP-2353611-B1 Drug conjugates and their use for treating cancer, an autoimmune disease or an infectious disease SEATTLE GENETICS INC (US) 2015-05-13 EP claimed
US-20140194638-A1 Spirobenzylamine-Phosphine, Preparation Method Therefor And Use Thereof ZHEJIANG JIUZHOU PHARMACEUTICAL CO., LTD. (CN) 2014-07-10 US claimed
EP-2752419-A1 SPIROBENZYLAMINE-PHOSPHINE, PREPARATION METHOD THEREFOR AND USE THEREOF Zhejiang Jiuzhou Pharmaceutical Co., Ltd. (CN) 2014-07-09 EP claimed
US-20130087745-A1 SOLUBLE PRECURSORS AND SOLUTION-BASED PROCESSES FOR PHOTOVOLTAICS PRECURSOR ENERGETICS, INC. (US) 2013-04-11 US claimed
EP-0626960-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LIMITED (GB) 1994-12-07 EP claimed
WO-1994025046-A1 METHOD OF COMBATING ACYCLOVIR-RESISTANT HERPES SIMPLEX VIRAL INFECTIONS BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1994-11-10 WO claimed
US-5332737-A Cardiovascular disorders IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-07-26 US claimed
EP-0575482-A1 ANTIVIRAL ACTIVITY AND RESOLUTION OF 2-HYDROXYMETHYL-5-(5-FLUOROCYTOSIN-1-YL)-1,3-OXATHIOLANE EMORY UNIVERSITY (US) 1993-12-29 EP claimed
WO-1993018003-A1 SUBSTITUED PIPECOLINIC ACID DERIVATIVES AS HIV PROTEASE INHIBITORS BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1993-09-16 WO claimed
WO-1993013096-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-07-08 WO claimed
WO-1992020227-A1 SUBSTITUTED ORALLY EFFECTIVE ION CHELATORS RELATED TO DEFEROXAMINE ORAL-D (US) 1992-11-26 WO claimed
EP-0337765-B1 ACYLSULFONAMIDE DERIVATIVES OF ALPHA-CARBOCYCLYLTOLUIC ACIDS USED AS LEUKOTRIENE ANTAGONISTS ICI AMERICAS INC. (US) 1992-10-14 EP claimed
EP-0431856-A2 Heterocyclic compounds ZENECA LIMITED (GB) 1991-06-12 EP claimed
EP-0243645-A2 Compounds having a nootropic activity, agents containing them and their use in the treatment and prophylaxis of cognitive malfunctions HOECHST AKTIENGESELLSCHAFT (DE) 1987-11-04 EP claimed