SCHEMBL3819741

SCHEMBL3819741

[CH]=C1NCCS1

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
SCHEMBL622255 0.62
SCHEMBL9935782 0.62
SCHEMBL27472571 0.62 INMT (0.39)
SCHEMBL761333 0.62
SCHEMBL8975369 0.62
SCHEMBL1628000 0.62
SCHEMBL34680 0.62
SCHEMBL17102937 0.62
Hydrochloric Acid SCHEMBL10764569 0.61
Water SCHEMBL5807420 0.61 INMT (0.37)

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0837052-B1 BICYCLIC AMINO DERIVATIVES AND PGD 2 ANTAGONIST CONTAINING THE SAME SHIONOGI & CO (JP) 2006-08-23 EP claimed
US-6498190-B1 TREATMENT OF NASAL OCCLUSION AND MAST CELL DYSFUNCTION DISEASES; ANTIINFLAMMATORY AGENTS SHIONOGI & CO., LTD. (JP) 2002-12-24 US claimed
US-6384075-B1 TREATING DISEASES IN WHICH MAST CELL DYSFUNCTION IS INVOLVED SHIONOGI & CO., LTD. (JP) 2002-05-07 US claimed
US-6172113-B1 Bicyclic amino derivatives and PGD2 antagonist containing the same SHIONOGI & CO., LTD. (JP) 2001-01-09 US claimed
CN-1193315-A Bicyclic amino derivatives and PGDZ antagonist containing same SHIONOGI PHARMACEUTIC K K (JP) 1998-09-16 CN claimed
EP-0837052-A1 BICYCLIC AMINO DERIVATIVES AND PGD 2 ANTAGONIST CONTAINING THE SAME SHIONOGI & CO., LTD. (JP) 1998-04-22 EP claimed
EP-2089373-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-08-19 EP disclosed
EP-1957073-A2 MEDICINAL DRUG OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-08-20 EP disclosed
WO-2008044667-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-04-17 WO disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 WO disclosed
EP-1773797-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-18 EP disclosed
EP-0837052-B1 BICYCLIC AMINO DERIVATIVES AND PGD 2 ANTAGONIST CONTAINING THE SAME SHIONOGI & CO (JP) 2006-08-23 EP disclosed
WO-2006014012-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-02-09 WO disclosed
CN-1134411-C Bicyclic amino derivatives and PGDZ antagonist containing same C&C��ҩ�о��� 2004-01-14 CN disclosed
US-6498190-B1 TREATMENT OF NASAL OCCLUSION AND MAST CELL DYSFUNCTION DISEASES; ANTIINFLAMMATORY AGENTS SHIONOGI & CO., LTD. (JP) 2002-12-24 US disclosed
US-6384075-B1 TREATING DISEASES IN WHICH MAST CELL DYSFUNCTION IS INVOLVED SHIONOGI & CO., LTD. (JP) 2002-05-07 US disclosed
US-6172113-B1 Bicyclic amino derivatives and PGD2 antagonist containing the same SHIONOGI & CO., LTD. (JP) 2001-01-09 US disclosed
CN-1193315-A Bicyclic amino derivatives and PGDZ antagonist containing same SHIONOGI PHARMACEUTIC K K (JP) 1998-09-16 CN disclosed
EP-0837052-A1 BICYCLIC AMINO DERIVATIVES AND PGD 2 ANTAGONIST CONTAINING THE SAME SHIONOGI & CO., LTD. (JP) 1998-04-22 EP disclosed