SCHEMBL9790035

SCHEMBL9790035

CC(=NO)c1c[nH]nn1

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
SCHEMBL9790021 1.00
SCHEMBL4253152 0.79
SCHEMBL4173125 0.79
SCHEMBL10363165 0.77
SCHEMBL11231730 0.75
SCHEMBL11231737 0.75
SCHEMBL19612791 0.74
SCHEMBL4255783 0.72 KMT2A (0.41)
SCHEMBL2644966 0.68
SCHEMBL11085069 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0004917-B1 OXIMINO-TRIAZOLYL ETHANES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES BAYER AG (DE) 1981-05-13 EP claimed
EP-0004917-A1 Oximino-triazolyl ethanes, process for their preparation and their use as fungicides BAYER AG (DE) 1979-10-31 EP claimed
US-5006153-A Fungicides or plant growth regulator UNIROYAL CHEMICAL COMPANY, INC. (US) 1991-04-09 US disclosed
US-4857649-A Azole derivatives of naphthalenone oxime esters UNIROYAL CHEMICAL COMPANY, INC. (US) 1989-08-15 US disclosed
US-4797412-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1989-01-10 US disclosed
EP-0228607-A1 Substituted cyclopropyl-oximethers BAYER AG (DE) 1987-07-15 EP disclosed
US-4364955-A PLANT FUNGI BAYER AKTIENGESELLSCHAFT (DE) 1982-12-21 US disclosed
US-4357338-A Combating fungi with 1-phenyl-1-oximino-2-(1,2,4-triazol-1-yl)-ethanes BAYER AKTIENGESELLSCHAFT (DE) 1982-11-02 US disclosed
EP-0028346-B1 TRISUBSTITUTED BENZYL-OXIME ETHERS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES BAYER AG (DE) 1982-08-04 EP disclosed
US-4309434-A Combating fungi with 1-(2-chlorophenyl)-1-(2-chlorobenzyloximino)-2-(1,2,4-triazol-1-yl)-ethane BAYER AKTIENGESELLSCHAFT (DE) 1982-01-05 US disclosed
EP-0004917-B1 OXIMINO-TRIAZOLYL ETHANES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES BAYER AG (DE) 1981-05-13 EP disclosed
EP-0004917-B1 OXIMINO-TRIAZOLYL ETHANES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES BAYER AG (DE) 1981-05-13 EP disclosed
US-4264772-A Combating fungi with 1-phenyl-1-oximino-2-(1,2,4-triazol-1-yl)-ethanes BAYER AKTIENGESELLSCHAFT (DE) 1981-04-28 US disclosed
EP-0004917-A1 Oximino-triazolyl ethanes, process for their preparation and their use as fungicides BAYER AG (DE) 1979-10-31 EP disclosed
EP-0004917-A1 Oximino-triazolyl ethanes, process for their preparation and their use as fungicides BAYER AG (DE) 1979-10-31 EP disclosed
EP-0004917-A1 Oximino-triazolyl ethanes, process for their preparation and their use as fungicides BAYER AG (DE) 1979-10-31 EP disclosed