SCHEMBL8852879

SCHEMBL8852879

CC1(CC(=O)O)SCCN1C(=O)C(Cl)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
SCHEMBL9510274 0.84
SCHEMBL9506360 0.81 KMT2A (0.36)
SCHEMBL8848006 0.76
SCHEMBL10711247 0.69 OPRM1 (0.31)
SCHEMBL11384739 0.67 ADRA2C (0.38)
SCHEMBL9874264 0.66 ADRA2C (0.37)
SCHEMBL30492788 0.66
SCHEMBL11385949 0.65 ADRA2C (0.39)
SCHEMBL28875760 0.62 CYP3A4 (0.32)
SCHEMBL11392361 0.62 ADRA2C (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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0104495-B1 COMPOUNDS HAVING AN ANTIDOTE ACTIVITY FOR THE PROTECTION OF CULTIVATIONS OF AGRARIAN INTEREST FROM THE ACTION OF NONSELECTIVE HERBICIDES Montedison S.p.A. (IT) 1988-11-30 EP claimed
US-4628101-A PLANT SAFENING AGENTS MONTEDISON S.P.A. (IT) 1986-12-09 US claimed
EP-0104495-A2 Compounds having an antidote activity for the protection of cultivations of agrarian interest from the action of nonselective herbicides Montedison S.p.A. (IT) 1984-04-04 EP claimed
US-5691274-A PLANT SAFTENING AGENTS FOR HERBICIDES ZENECA LIMITED (GB) 1997-11-25 US disclosed
US-5527761-A MIXTURE OF ISOXAZOLIDINONES, DICHLOROACETAMIDES, TRIAZINE, TOLUIDINE AND SULFONYLUREA HERBICIDES ZENECA LIMITED (GB) 1996-06-18 US disclosed
US-5527762-A AMIDES OF HALOALKANOIC ACIDS, INCLUDING OXAZOLIDINES AND THIOZOLIDIENS USED AS NON-PHYTOTOXIC ANTIDOTES ZENECA LIMITED (GB) 1996-06-18 US disclosed
US-5395816-A Antidoting herbicidal 3-ixoxazolidinone compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-03-07 US disclosed
EP-0561970-B1 ANTIDOTING HERBICIDAL 3-ISOXAZOLIDINONE COMPOUNDS ZENECA INC (US) 1995-01-18 EP disclosed
EP-0561970-A1 ANTIDOTING HERBICIDAL 3-ISOXAZOLIDINONE COMPOUNDS. ZENECA INC (US) 1993-09-29 EP disclosed
WO-1992010095-A1 ANTIDOTING HERBICIDAL 3-ISOXAZOLIDINONE COMPOUNDS ZENECA INC. (US) 1992-06-25 WO disclosed
US-5051125-A S-ethyl cyclohexylethyl thiocarbamate and 2-chloro-4-(ethylamino)-6-(2-cyanoisopropylamino)-s-triazine ICI AMERICAS INC. (US) 1991-09-24 US disclosed
EP-0104495-B1 COMPOUNDS HAVING AN ANTIDOTE ACTIVITY FOR THE PROTECTION OF CULTIVATIONS OF AGRARIAN INTEREST FROM THE ACTION OF NONSELECTIVE HERBICIDES Montedison S.p.A. (IT) 1988-11-30 EP disclosed
US-4628101-A PLANT SAFENING AGENTS MONTEDISON S.P.A. (IT) 1986-12-09 US disclosed
EP-0184870-A1 Synergistic herbicidal composition STAUFFER CHEMICAL COMPANY (US) 1986-06-18 EP disclosed
EP-0104495-A2 Compounds having an antidote activity for the protection of cultivations of agrarian interest from the action of nonselective herbicides Montedison S.p.A. (IT) 1984-04-04 EP disclosed