SCHEMBL104505

SCHEMBL104505

CC(=O)CC(C)(C)C

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
SCHEMBL842902 0.97
SCHEMBL8723277 0.97
Methylhydrazine SCHEMBL11710721 0.86 HTT (0.34)
SCHEMBL2612030 0.79 ALDH1A1 (0.41)
SCHEMBL7041938 0.76 HMGCR (0.58)
SCHEMBL28494 0.76
SCHEMBL1536952 0.76 HMGCR (0.43)
SCHEMBL2914546 0.76 KDM4E (0.44)
SCHEMBL13251256 0.76 ALDH1A1 (0.33)
SCHEMBL14914212 0.74 HMGCR (0.40)

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 1987 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260076371-A1 AGROCHEMICAL COMPOSITION OF TRIAZOLES ADAMA MAKHTESHIM LTD. (IL) 2026-03-19 US claimed
US-20260026501-A1 AGROCHEMICAL COMPOSITION OF SDHI FUNGICIDES ADAMA MAKHTESHIM LTD. (IL) 2026-01-29 US claimed
US-20260007716-A1 DESLORELIN FOR ATTENUATION OF ANIMAL URINE ODOR VIRBAC (FR) 2026-01-08 US claimed
WO-2025150071-A1 A TERNARY INSECTICIDAL COMPOSITION FOR INSECTS, PESTS AND MITES RAJDHANI PETROCHEMICALS PRIVATE LIMITED (IN) 2025-07-17 WO claimed
WO-2025109628-A1 A SYNERGISTIC TERNARY INSECTICIDAL COMPOSITION RAJDHANI PETROCHEMICALS PRIVATE LIMITED (IN) 2025-05-30 WO claimed
EP-4554380-A1 AGROCHEMICAL COMPOSITION OF SDHI FUNGICIDES ADAMA MAKHTESHIM LTD. (IL) 2025-05-21 EP claimed
WO-2024110731-A1 METHOD FOR PURIFYING CHLOROTRIFLUOROETHYLENE BY EXTRACTIVE DISTILLATION ARKEMA FRANCE (FR) 2024-05-30 WO claimed
WO-2024018453-A1 COMPOSITIONS OF TRIAZOLE FUNGICIDES ADAMA MAKHTESHIM LTD. (IL) 2024-01-25 WO claimed
WO-2024013735-A1 AGROCHEMICAL COMPOSITION OF SDHI FUNGICIDES ADAMA MAKHTESHIM LTD. (IL) 2024-01-18 WO claimed
WO-2024003288-A1 DESLORELIN FOR ATTENUATION OF ANIMAL URINE ODOR VIRBAC (FR) 2024-01-04 WO claimed
US-20070155633-A1 Diaromatic amine derivatives as antioxidants LANXESS SOLUTIONS US INC. 2007-07-05 US claimed
EP-1276804-B1 LIQUID ANTIOZONANTS AND RUBBER COMPOSITIONS CONTAINING SAME UNIROYAL CHEM CO INC (US) 2006-06-14 EP claimed
US-20050282878-A1 Process for the purification of fluconazole GLENMARK PHARMACEUTICALS LIMITED (IN) 2005-12-22 US claimed
US-6706216-B1 REACTION PRODUCT OF CATALYTIC REDUCTIVE ALKYLATION OF P-PHENYLENEDIAMINE OR DERIVATIVE WITH ACETONE AND SECOND CARBONYL COMPOUND UNIROYAL CHEMICAL COMPANY, INC. 2004-03-16 US claimed
US-6706217-B2 OBTAINED FROM THE REACTION OF A PARAPHENYLENEDIAMINE COMPOUND WITH ACETONE AND AT LEAST ONE OF KETONES AND ALDEHYDES, USING A REDUCTIVE ALKYLATION CATALYST UNIROYAL CHEMICAL COMPANY, INC. 2004-03-16 US claimed
CN-1475484-A Preparation methoh of tinidazole 浙江大学 2004-02-18 CN claimed
EP-1276804-A1 LIQUID ANTIOZONANTS AND RUBBER COMPOSITIONS CONTAINING SAME Uniroyal Chemical Company, Inc. (US) 2003-01-22 EP claimed
US-20020061946-A1 Liquid antiozonants and rubber compositions containing same ADDIVANT USA, LLC 2002-05-23 US claimed
WO-2001081459-A1 LIQUID ANTIOZONANTS AND RUBBER COMPOSITIONS CONTAINING SAME UNIROYAL CHEMICAL COMPANY, INC. (US) 2001-11-01 WO claimed
US-4493904-A COORDINATION, POLYMERIZATION CATALYST CONTAINING TITANIUM TRICHORI CONOCO INC. (US) 1985-01-15 US claimed