SCHEMBL434049

SCHEMBL434049

Cc1ccc(=O)n(C)n1

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
SCHEMBL17572315 0.73
SCHEMBL11268265 0.73
SCHEMBL958356 0.73
SCHEMBL16478125 0.73
SCHEMBL936893 0.73
SCHEMBL15730076 0.73
SCHEMBL1230988 0.73
SCHEMBL9593037 0.73
SCHEMBL10044413 0.72 PTGS2 (0.53)
Hydrochloric Acid SCHEMBL31305742 0.71 ALDH1A1 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239757-A1 PHTHALAZINONE DERIVATES AS NLRP3 INFLAMMASOME INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2024-07-18 US disclosed
US-20240239757-A1 PHTHALAZINONE DERIVATES AS NLRP3 INFLAMMASOME INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2024-07-18 US disclosed
US-12036292-B2 Heterobiaryl compounds and imaging agents for imaging huntingtin protein CHDI FOUNDATION, INC. (US) 2024-07-16 US disclosed
CN-110407730-B Pyrrolidone herbicides FMC 公司 2023-09-08 CN disclosed
WO-2023154282-A1 COMPOUNDS HAVING A T-STRUCTURE FORMED BY AT LEAST FOUR CYCLES FOR USE IN THE TREATMENT OF CANCER AND OTHER INDICATIONS THERAS, INC. (US) 2023-08-17 WO disclosed
US-11708358-B2 Fungicidal oxadiazoles FMC CORPORATION (US) 2023-07-25 US disclosed
US-11708358-B2 Fungicidal oxadiazoles FMC CORPORATION (US) 2023-07-25 US disclosed
WO-2023107552-A2 PURINES AND METHODS OF THEIR USE Kineta, Inc. (US) 2023-06-15 WO disclosed
WO-2023104714-A1 PESTICIDALLY ACTIVE PYRIDAZINONE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2023-06-15 WO disclosed
WO-2023072849-A1 PESTICIDALLY ACTIVE PYRIDAZINONE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2023-05-04 WO disclosed
EP-2145891-A1 9-substituted-5-carboxy-oxadiazino-quinolone derivatives, their preparation and their application as anti-bacterials VETOQUINOL S.A. (FR) 2010-01-20 EP disclosed
WO-2010004394-A1 9-SUBSTITUTED-B-CARBOXY-OXADIAZINO-QUINOLONE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION AS ANTI-BACTERIALS VETOQUINOL SA (FR) 2010-01-14 WO disclosed
US-20100009980-A1 NOVEL 9-SUBSTITUTED-5-CARBOXY-OXADIAZINO-QUINOLONE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION AS ANTI-BACTERIALS VETOQUINOL SA (FR) 2010-01-14 US disclosed
US-20080221114-A1 2-(Cyclic Aminocarbonyl) Indoline Derivative and Medicinal Composition Containing the Same DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-09-11 US disclosed
US-20080221114-A1 2-(Cyclic Aminocarbonyl) Indoline Derivative and Medicinal Composition Containing the Same DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-09-11 US disclosed
EP-1840126-A1 2-(CYCLIC AMINOCARBONYL)INDOLINE DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THE SAME Dainippon Sumitomo Pharma Co., Ltd. (JP) 2007-10-03 EP disclosed
US-20070185092-A1 FACTOR Xa INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-09 US disclosed
WO-2007015162-A1 PIPERIDINOYL-PYRROLIDINE AND PIPERIDINOYL-PIPERIDINE COMPOUNDS PFIZER LIMITED (GB) 2007-02-08 WO disclosed
WO-2004064842-A1 AMIDE AND ESTER MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-08-05 WO disclosed
WO-2004014384-A2 CYCLIC COMPOUNDS CONTAINING ZINC BINDING GROUPS AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO disclosed