SCHEMBL546348

SCHEMBL546348

[CH2]CCC[S]

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
SCHEMBL546438 0.87
SCHEMBL7029470 0.84
SCHEMBL3239616 0.84
SCHEMBL3238009 0.84
SCHEMBL3237704 0.75
SCHEMBL2136 0.68
SCHEMBL680491 0.68
SCHEMBL2496 0.68
SCHEMBL27960 0.64
SCHEMBL29351 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0288400-B1 SUBSTITUTED ISOQUINOLINES EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1993-02-03 EP claimed
US-4795755-A ANTISECRETORY, ANTIULCER AGENTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-01-03 US claimed
EP-0288400-A1 Substituted isoquinolines EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1988-10-26 EP claimed
US-4775760-A Dibenzo[f,ij]isoquinoline-2,7-dione derivatives EASTMAN KODAK COMPANY (US) 1988-10-04 US claimed
US-4748165-A ANTISECRETORY AGENTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-05-31 US claimed
US-4746672-A HISTAMINE H-2 ANTAGONISTS WHICH INHIBIT GASTRIC ACID SECRETION ICI AMERICAS INC. (US) 1988-05-24 US claimed
US-4696933-A INHIBIT GASTRIC ACID SECRETION ICI AMERICAS INC. (GB) 1987-09-29 US claimed
US-4665073-A HISTAMINE H2-ANTAGONISTS ICI AMERICAS INC. (GB) 1987-05-12 US claimed
US-4657908-A Carbonyl derivatives ICI AMERICAS, INC. (US) 1987-04-14 US claimed
EP-0060697-B1 HETEROCYCLIC DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-12-30 EP claimed
US-4447441-A ANTIHISTAMINE, ANTIULCER AND ANTISECRETORY AGENT IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-05-08 US claimed
EP-0103390-A2 Guanidine-containing esters as histamine H2 receptor blockers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-03-21 EP claimed
EP-0067508-A1 Amidine derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-12-22 EP claimed
EP-0065823-A1 Heterocyclic guanidines as histamine H-2 antagonists IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-12-01 EP claimed
EP-0060697-A1 Heterocyclic derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-09-22 EP claimed
EP-0060730-A2 Bicyclic derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-09-22 EP claimed
EP-0060696-A1 Nitrogen heterocycles IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-09-22 EP claimed
EP-0060094-A2 Guanidine derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-09-15 EP claimed
EP-0060093-A2 Amide derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-09-15 EP claimed
EP-0059597-A2 Guanidino-substituted heterocyclic derivatives having histamine H-2 antagonist activity IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-09-08 EP claimed