SCHEMBL42919

SCHEMBL42919

CC(C)C1CC[CH]CC1

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
SCHEMBL147535 0.89
SCHEMBL5791414 0.87 SHBG (0.31)
SCHEMBL1703047 0.85
SCHEMBL11699671 0.82
SCHEMBL23825719 0.77
SCHEMBL11319453 0.77
SCHEMBL9428121 0.77
SCHEMBL1435514 0.77
SCHEMBL22462729 0.75 NOS3 (0.33)
SCHEMBL8677451 0.75 NOS3 (0.33)

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 1464 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115611856-B Piperidine derivative and pharmaceutical composition, preparation method and application thereof 宜昌人福药业有限责任公司 2024-07-05 CN claimed
CN-117983302-A Catalyst containing ferrocene PNP ligand for ethylene selective tetramerization and preparation method and application thereof 华东理工大学 2024-05-07 CN claimed
EP-4345096-A1 PIPERIDINE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND USE THEREOF Yichang Humanwell Pharmaceutical Co., Ltd. (CN) 2024-04-03 EP claimed
CN-117642402-A Spiropiperidine ring derivative and pharmaceutical composition, preparation method and application thereof 宜昌人福药业有限责任公司 2024-03-01 CN claimed
CN-117642389-A Piperidine derivative and pharmaceutical composition, preparation method and application thereof 宜昌人福药业有限责任公司 2024-03-01 CN claimed
CN-116970107-A Catalyst combination and method for preparing poly alpha-olefin synthetic oil by using same 万华化学集团股份有限公司 2023-10-31 CN claimed
CN-116903772-A Method for preparing polyolefin plastomer 万华化学集团股份有限公司 2023-10-20 CN claimed
CN-116899622-A High-selectivity catalyst for ethylene oligomerization and application thereof 万华化学集团股份有限公司 2023-10-20 CN claimed
EP-4229165-A1 A SYNERGISTIC PERFUMING COMPOSITION Firmenich SA (CH) 2023-08-23 EP claimed
CN-114920866-B Preparation method of polyolefin thermoplastic elastomer 万华化学集团股份有限公司 2023-07-14 CN claimed
US-6326359-B1 PURINE DERIVATIVES PFIZER INC 2001-12-04 US claimed
EP-1121372-A1 ADENINE DERIVATIVES Pfizer Limited (GB) 2001-08-08 EP claimed
WO-2001017501-A1 ENZYME INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2001-03-15 WO claimed
WO-2000023457-A1 ADENINE DERIVATIVES PFIZER LIMITED (GB) 2000-04-27 WO claimed
EP-0309913-B1 Fungicidal N-substituted 3-aryl-pyrrolidine derivatives BASF AG (DE) 1994-06-15 EP claimed
US-5162155-A SILANE COATED INORGANIC MATERIALS FOR CHROMATOGRAPHY MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1992-11-10 US claimed
US-5068245-A For treatment of plants BASF AKTIENGESELLSCHAFT (DE) 1991-11-26 US claimed
US-4968676-A PLANTS, SOILS, SEEDS BASF AKTIENGESELLSCHAFT (DE) 1990-11-06 US claimed
US-4897425-A Fungicidal cyclohexylamines BASF AKTIENGESELLSCHAFT (DE) 1990-01-30 US claimed
EP-0309913-A2 Fungicidal N-substituted 3-aryl-pyrrolidine derivatives BASF Aktiengesellschaft (DE) 1989-04-05 EP claimed