SCHEMBL5151748

SCHEMBL5151748

C[C](C)C#CI

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
SCHEMBL1717729 0.71
SCHEMBL14907648 0.69
SCHEMBL2105607 0.64
SCHEMBL23420 0.61
SCHEMBL27945489 0.58
SCHEMBL3162236 0.58
SCHEMBL3157289 0.58
SCHEMBL6422567 0.55
SCHEMBL20815413 0.52
SCHEMBL242411 0.51

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-0572191-B1 N-iodopropargyl hydantoin compounds, compositions, preparation, and use as antimicrobial agents ROHM & HAAS (US) 1996-09-04 EP claimed
US-5346913-A Agricultural fungicides ROHM AND HAAS COMPANY (US) 1994-09-13 US claimed
EP-0572191-A1 N-iodopropargyl hydantoin compounds, compositions, preparation, and use as antimicrobial agents ROHM AND HAAS COMPANY (US) 1993-12-01 EP claimed
US-20070043011-A1 Substituted benzanilide compound and noxious organism controlling agent MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-02-22 US disclosed
EP-1671941-A1 SUBSTITUTED BENZANILIDE COMPOUND AND PEST CONTROL AGENT Nissan Chemical Industries, Ltd. (JP) 2006-06-21 EP disclosed
US-20050250822-A1 Substituted benzanilide compound and noxious organism controlling agent NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2005-11-10 US disclosed
EP-1538138-A1 SUBSTITUTED BENZANILIDE COMPOUND AND PEST CONTROL AGENT NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 2005-06-08 EP disclosed