SCHEMBL128683

SCHEMBL128683

C[CH]C(=O)OC(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
SCHEMBL7065063 0.83 HCAR2 (0.40)
SCHEMBL2126466 0.80
SCHEMBL177747 0.79 HCAR2 (0.80)
SCHEMBL177748 0.79 HCAR2 (0.80)
SCHEMBL10620516 0.79 HCAR2 (0.56)
SCHEMBL178194 0.79 HCAR2 (0.80)
SCHEMBL7965368 0.78 HCAR2 (0.34)
SCHEMBL11208939 0.78
SCHEMBL690461 0.78
SCHEMBL6591534 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116253721-B N- (4-indolyl) -N' -alkyl imidazole salt and application thereof 昆明理工大学 2024-05-14 CN claimed
CN-116253721-A N- (4-indolyl) -N' -alkyl imidazole salt and application thereof 昆明理工大学 2023-06-13 CN claimed
US-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES BAYER AG (DE) 2020-12-17 US claimed
EP-3728214-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2020-10-28 EP claimed
US-20200095241-A1 SUBSTITUTED 1,2,4-THIADIAZOLYLPYRROLONES AND 1,2,4-THIADIAZOLYLHYDANTOINS AND SALTS THEREOF AND USE THEREOF AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2020-03-26 US claimed
US-20200079765-A1 SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2020-03-12 US claimed
US-20190330192-A1 SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINS AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2019-10-31 US claimed
EP-3558975-A1 SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES Bayer CropScience Aktiengesellschaft (DE) 2019-10-30 EP claimed
CN-107073002-B The nucleoside derivates that the 4 '-vinyl as respiratory syncytial virus (RSV) rna replicon inhibitor replace 里博科学有限责任公司 2019-10-15 CN claimed
CN-105307662-B 4 '-fluoro-2' -methyl substituted nucleoside derivatives 里博科学有限责任公司 2019-06-04 CN claimed
WO-2003099009-A1 SUBSTITUTED PHENYLURACILS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2003-12-04 WO claimed
EP-1330443-A1 SUBSTITUTED PHENYLURACILS Bayer CropScience AG (DE) 2003-07-30 EP claimed
WO-2002034725-A1 SUBSTITUTED PHENYLURACILS BAYER CROPSCIENCE AG (DE) 2002-05-02 WO claimed
EP-0528765-B1 Benzothiazolon herbicide CIBA GEIGY AG (CH) 1997-07-02 EP claimed
CN-1127255-A Novel herbicides CIBA GEIGY AG (CH) 1996-07-24 CN claimed
EP-0278452-B1 2,4- and 2,5-Pyridine-dicarboxylic-acid derivatives, process for their preparation, their use and medicines based on these compounds HOECHST AG (DE) 1995-05-24 EP claimed
CN-1069977-A Novel herbicides CIBA GEIGY AG (CH) 1993-03-17 CN claimed
WO-1993004071-A1 BENZOTHIAZOLONE CIBA-GEIGY AG (CH) 1993-03-04 WO claimed
EP-0528765-A1 Benzothiazolon herbicide CIBA-GEIGY AG (CH) 1993-02-24 EP claimed
EP-0042154-A1 New cephem compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-12-23 EP claimed