SCHEMBL9427892

SCHEMBL9427892

O=CCn1cncn1

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
SCHEMBL13219816 0.77
SCHEMBL5115832 0.76
SCHEMBL4433009 0.76
SCHEMBL10517447 0.73 EGLN3 (0.47)
SCHEMBL4686079 0.72
SCHEMBL28367472 0.71
SCHEMBL10697241 0.71
SCHEMBL5657617 0.71 CYP19A1 (0.48)
SCHEMBL13374031 0.69 FDPS (0.36)
SCHEMBL11043349 0.69 FDPS (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116143764-A Preparation method for synthesizing difenoconazole by four-step method 江西农业大学 2023-05-23 CN claimed
CN-114437049-A Preparation method for synthesizing difenoconazole by three-step method 江西农业大学 2022-05-06 CN claimed
US-5010208-A Novel alkylcycloalkyl triazolylmethyl ketones as fungicide intermediates BAYER AKTIENGESELLSCHAFT (DE) 1991-04-23 US claimed
US-4921967-A Novel alkylcycloalkyl triazolylmethyl ketones as fungicide intermediates BAYER AKTIENGESELLSCHAFT (DE) 1990-05-01 US claimed
EP-0132730-B1 3-(1,2,4-TRIAZOL-1-YL)-1-PROPENES BAYER AG (DE) 1988-05-18 EP claimed
EP-0132730-A1 3-(1,2,4-Triazol-1-yl)-1-propenes BAYER AG (DE) 1985-02-13 EP claimed
US-20250262201-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. 2025-08-21 US disclosed
US-20250171438-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. 2025-05-29 US disclosed
CN-119816496-A Aromatic acetylene derivative and preparation method and application thereof 浙江海正药业股份有限公司 2025-04-11 CN disclosed
WO-2024230797-A1 STEROID COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海枢境生物科技有限公司 2024-11-14 WO disclosed
CN-118359599-A Azacyclic acetylene derivative, preparation method and medical application thereof 浙江海正药业股份有限公司 2024-07-19 CN disclosed
EP-3430013-B1 CARBAPENEM COMPOUNDS ORCHID PHARMA LTD (IN) 2023-11-15 EP disclosed
CN-116903448-A Method for preparing 3,4' -dichloro diphenyl ether by using difenoconazole waste 浙江宇龙生物科技股份有限公司 2023-10-20 CN disclosed
US-5266584-A Fungicides BAYER AKTIENGESELLSCHAFT (DE) 1993-11-30 US disclosed
US-5010208-A Novel alkylcycloalkyl triazolylmethyl ketones as fungicide intermediates BAYER AKTIENGESELLSCHAFT (DE) 1991-04-23 US disclosed
US-4921967-A Novel alkylcycloalkyl triazolylmethyl ketones as fungicide intermediates BAYER AKTIENGESELLSCHAFT (DE) 1990-05-01 US disclosed
EP-0351646-A2 Hydroxyalkinyl-azolyl derivatives BAYER AG (DE) 1990-01-24 EP disclosed
EP-0132730-B1 3-(1,2,4-TRIAZOL-1-YL)-1-PROPENES BAYER AG (DE) 1988-05-18 EP disclosed
US-4740515-A 3-(1,2,4-triazol-1-yl)-prop-1-ene fungicides BAYER AKTIENGESELLSCHAFT (DE) 1988-04-26 US disclosed
EP-0132730-A1 3-(1,2,4-Triazol-1-yl)-1-propenes BAYER AG (DE) 1985-02-13 EP disclosed