SCHEMBL42680

SCHEMBL42680

CC(C)(C)CC[NH]

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
SCHEMBL8645511 0.77
SCHEMBL6050221 0.72
SCHEMBL11345494 0.72
SCHEMBL6888030 0.72
SCHEMBL598853 0.71 TSHR (0.46)
SCHEMBL786488 0.69
SCHEMBL9075990 0.69
SCHEMBL196284 0.67
SCHEMBL5932982 0.67
SCHEMBL3838157 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
US-20090264499-A1 Cathepsin C Inhibitors GLAXO GROUP LIMITED (GB) 2009-10-22 US claimed
WO-2009129371-A1 CATHEPSIN C INHIBITORS GLAXO GROUP LIMITED (GB) 2009-10-22 WO claimed
US-6875743-B1 Cell adhesion inhibitors BIOGEN, INC. (US) 2005-04-05 US claimed
US-6596687-B1 For treatment of many inflammatory and autoimmune diseases BIOGEN, INC. 2003-07-22 US claimed
US-6239108-B1 Cell adhesion inhibitors BIOGEN, INC. 2001-05-29 US claimed
WO-1997003094-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-01-30 WO claimed
WO-2024140700-A1 BENZOTHIAZOLE COMPOUND, AND SYNTHESIS THEREFOR AND USE THEREOF 西北农林科技大学 2024-07-04 WO disclosed
US-20240217957-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-07-04 US disclosed
WO-2024135828-A1 AVERMECTIN DERIVATIVE Meiji Seikaファルマ株式会社 2024-06-27 WO disclosed
WO-2024116086-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-06-06 WO disclosed
US-20240115553-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY AZEVAN PHARMACEUTICALS, INC. (US) 2024-04-11 US disclosed
US-11932600-B2 Biaryl derivative DAIICHI SANKYO COMPANY LIMITED (JP) 2024-03-19 US disclosed
EP-0513580-A2 Alpha-phenyl-acrylic acid derivatives, process for their preparation and their use as parasiticides and fungicides BASF Aktiengesellschaft (DE) 1992-11-19 EP disclosed
EP-0508190-A1 1-Alkoxy-1,3-diazacyclo alkane derivatives, process for their preparation and their use as pesticides BASF Aktiengesellschaft (DE) 1992-10-14 EP disclosed
EP-0499823-A2 Imino-substituted phenyl derivatives, their preparation and fungicides containing them BASF Aktiengesellschaft (DE) 1992-08-26 EP disclosed
EP-0476607-A2 2-Anilino-cyanopyridines and their use for pest control BASF Aktiengesellschaft (DE) 1992-03-25 EP disclosed
EP-0472091-A1 Synergistic composition for plant growth regulation BASF Aktiengesellschaft (DE) 1992-02-26 EP disclosed
EP-0453883-A2 2-amino-4-trichloropyridine derivatives BASF Aktiengesellschaft (DE) 1991-10-30 EP disclosed
EP-0186977-A2 Renin-inhibitory dipeptides, their preparation and use SANKYO COMPANY LIMITED (JP) 1986-07-09 EP disclosed