SCHEMBL538844

SCHEMBL538844

CC(=O)C(C)(C)Cl

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
SCHEMBL8558705 0.83
SCHEMBL11141736 0.80
SCHEMBL136756 0.78
Trichloroethane SCHEMBL11686802 0.78
SCHEMBL11836932 0.77
SCHEMBL3164284 0.75
SCHEMBL94994 0.75
SCHEMBL1678472 0.75 TSHR (0.57)
SCHEMBL10487212 0.75 TSHR (0.39)
SCHEMBL6971031 0.75

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
EP-1017679-B1 PROCESS FOR THE PREPARATION OF IMIDAZOLINE DERIVATIVES UNIROYAL CHEM CO INC (US) 2003-06-04 EP claimed
EP-1017679-A1 PROCESS FOR THE PREPARATION OF IMIDAZOLINE DERIVATIVES UNIROYAL CHEMICAL COMPANY, Inc. (US) 2000-07-12 EP claimed
WO-1999016754-A1 PROCESS FOR THE PREPARATION OF IMIDAZOLINE DERIVATIVES UNIROYAL CHEMICAL COMPANY, INC. (US) 1999-04-08 WO claimed
US-5849929-A Process for the preparation of imidazoline nitroxyl UNIROYAL CHEMICAL COMPANY, INC. (US) 1998-12-15 US claimed
US-4211704-A Method for producing 2,3,3-trimethylindolenine CHISSO CORPORATION (JP) 1980-07-08 US claimed
JP-55162749-A None JP disclosed
JP-55162770-A None JP disclosed
JP-54039073-A None JP disclosed
US-20120190689-A1 PIPERAZINYL 3-AMINOPYRROLIDINE DERIVATIVES AS A CCR2 ANTAGONIST YANG JI CHEMICAL CO., LTD. (KR) 2012-07-26 US disclosed
US-20120101112-A1 SUBSTITUTED [1,2,4]TRIAZOLO[1,5-a]PYRIMIDINES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2012-04-26 US disclosed
US-20120095025-A1 SUBSTITUTED [1,2,4]TRIAZOLO[1,5-a]PYRIMIDINES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2012-04-19 US disclosed
EP-2438069-A1 SUBSTITUTED [1,2,4]TRIAZOLO[1,5-A]PYRIMIDINES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NeuroSearch A/S (DK) 2012-04-11 EP disclosed
WO-1999016754-A1 PROCESS FOR THE PREPARATION OF IMIDAZOLINE DERIVATIVES UNIROYAL CHEMICAL COMPANY, INC. (US) 1999-04-08 WO disclosed
US-5849929-A Process for the preparation of imidazoline nitroxyl UNIROYAL CHEMICAL COMPANY, INC. (US) 1998-12-15 US disclosed
US-4240983-A HALOGENATION BAYER AKTIENGESELLSCHAFT (DE) 1980-12-23 US disclosed
JP-S55162770-A IMPROVED PREPARATION OF 2,3,3-TRIMETHYL-INDOLENINE CHISSO CORP 1980-12-18 JP disclosed
JP-S55162749-A NOVEL PROCESS FOR PREPARATION OF 3-ANILINO-3-METHYLBUTAN- 2-ONE CHISSO CORP 1980-12-18 JP disclosed
US-4211704-A Method for producing 2,3,3-trimethylindolenine CHISSO CORPORATION (JP) 1980-07-08 US disclosed
US-4211704-A Method for producing 2,3,3-trimethylindolenine CHISSO CORPORATION (JP) 1980-07-08 US disclosed
JP-S5439073-A PREPARATION OF 2,3,3-TRIMETHYLINDOLENINE CHISSO CORP 1979-03-24 JP disclosed