SCHEMBL6545435

SCHEMBL6545435

C=C(C)CCC(C)CC

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
SCHEMBL6735717 0.88
SCHEMBL1296286 0.85 PTPN1 (0.34)
SCHEMBL28309634 0.85 PTPN1 (0.34)
SCHEMBL28785262 0.84 TSHR (0.39)
SCHEMBL181688 0.82 TSHR (0.46)
SCHEMBL1906086 0.81 PTPN1 (0.40)
SCHEMBL22807084 0.81 ACE2 (0.34)
SCHEMBL4444130 0.81 ACE2 (0.34)
SCHEMBL25626757 0.81
Benzene SCHEMBL28871853 0.80 PTPN1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260079169-A1 VOLATILE ORGANIC COMPOUNDS AS MARKERS FOR CELLULAR COMMUNICATION TECHNION RES & DEV FOUNDATION (IL) 2026-03-19 US disclosed
WO-2022107511-A1 PHENOL COMPOUND, ELECTROCONDUCTIVE PASTE COMPOSITION, METHOD FOR PRODUCING ELECTROCONDUCTIVE PASTE COMPOSITION, AND ELECTROCONDUCTIVE WIRING LINE AND PRODUCTION METHOD THEREFOR 信越化学工業株式会社 2022-05-27 WO disclosed
EP-1057803-B1 Process for producing an alcohol or an aldehyde KYOWA YUKA KK (JP) 2004-01-21 EP disclosed
US-6365783-B1 REACTING MONOOLEFINS WITH CARBON MONOXIDE AND HYDROGEN IN PRESENCE OF COBALT CARBONYL CATALYST KYOWA YUKA CO., LTD. (JP) 2002-04-02 US disclosed
EP-1057803-A1 Process for producing an alcohol or an aldehyde Kyowa Yuka Co., Ltd. (JP) 2000-12-06 EP disclosed
CN-1223254-A Tertiary alkyl primary amines and process for preparing the same ROHM & HAAS (US) 1999-07-21 CN disclosed
US-5874661-A Hydrocarbon treatment EXXON CHEMICAL PATENTS INC. (US) 1999-02-23 US disclosed
EP-0703888-B1 PROCESS FOR REDUCING THE DEGREE OF BRANCHING OF BRANCHED OLEFINS EXXON CHEMICAL PATENTS INC (US) 1997-07-23 EP disclosed
EP-0767075-A1 Coating for printed products consisting of several layers and method of preparation Vianova Resins GmbH (DE) 1997-04-09 EP disclosed
EP-0739916-A2 Multimodal resin systems without emulsifier and solvent Vianova Resins GmbH (DE) 1996-10-30 EP disclosed
EP-0009077-B1 SUBSTITUTED PHENYLPROPYL HALIDES, THEIR PREPARATION AND USE BASF Aktiengesellschaft (DE) 1981-09-30 EP disclosed
US-4273938-A REACTING CYANO COMPOUNDS WITH OLEFINS AND WATER IN THE PRESENCE OF CATION EXCHANGE RESINS CONTAINING SULFONIC ACID GROUPS BASF AKTIENGESELLSCHAFT (DE) 1981-06-16 US disclosed
US-4250123-A CHEMICAL INTERMEDIATES FOR FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1981-02-10 US disclosed
US-4230878-A AND 4-(UNSATURATED ALKYL)AMINOBENZOIC ACIDS AND DERIVATIVES AMERICAN CYANAMID COMPANY (US) 1980-10-28 US disclosed
US-4202199-A Manufacture of alkylphenol compounds BASF AKTIENGESELLSCHAFT (DE) 1980-05-13 US disclosed
US-4198531-A Manufacture of p-alkylphenols BASF AKTIENGESELLSCHAFT (DE) 1980-04-15 US disclosed
EP-0009077-A1 Substituted phenylpropyl halides, their preparation and use BASF Aktiengesellschaft (DE) 1980-04-02 EP disclosed
US-4138591-A Manufacture of alkylphenols BASF AKTIENGESELLSCHAFT (DE) 1979-02-06 US disclosed
US-4006188-A Cycloalkenones ZOECON CORPORATION (US) 1977-02-01 US disclosed
US-4000174-A NOVEL COMPOUNDS ZOECON CORPORATION (US) 1976-12-28 US disclosed