SCHEMBL9494823

SCHEMBL9494823

C=C(C)CN1C(=O)C(C)SC1=NN=C1SC(OP(=O)(O)N(C)C)C(=O)N1C

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
SCHEMBL10888158 0.92 — —
SCHEMBL10890207 0.88 — —
SCHEMBL10892451 0.88 — —
SCHEMBL9492279 0.87 — —
SCHEMBL9493987 0.87 — —
Ammonia Solution, Strong SCHEMBL11203336 0.86 — —
SCHEMBL10889404 0.85 — —
Potassium Ion SCHEMBL11202087 0.83 — —
SCHEMBL11206677 0.83 — —
Trolamine SCHEMBL11215568 0.82 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0494047-A1 Use of carbazones for the treatment of rheumatoid diseases CIBA-GEIGY AG (CH) 1992-07-08 — — EP claimed
US-4582841-A ANTITUMOR AND -CARCINOGENIC AGENTS CIBA-GEIGY CORPORATION (US) 1986-04-15 — — US claimed
EP-0132231-A2 Substituted thiazolidinyl esters made from inorganic acid amides CIBA-GEIGY AG (CH) 1985-01-23 — — EP claimed
US-5177091-A Rheumatic disorders CIBA-GEIGY CORPORATION (US) 1993-01-05 — — US disclosed
EP-0494047-A1 Use of carbazones for the treatment of rheumatoid diseases CIBA-GEIGY AG (CH) 1992-07-08 — — EP disclosed
US-4582841-A ANTITUMOR AND -CARCINOGENIC AGENTS CIBA-GEIGY CORPORATION (US) 1986-04-15 — — US disclosed
EP-0132231-A2 Substituted thiazolidinyl esters made from inorganic acid amides CIBA-GEIGY AG (CH) 1985-01-23 — — EP disclosed
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