SCHEMBL9699417

SCHEMBL9699417

CC(C)(C)SCC#N

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
SCHEMBL11854293 0.71
SCHEMBL9298481 0.69
SCHEMBL6692913 0.69
SCHEMBL15932255 0.65
SCHEMBL2407921 0.62
SCHEMBL9723942 0.60
SCHEMBL3391323 0.60 HTR1A (0.56)
SCHEMBL15853398 0.60 ALDH1A1 (0.40)
SCHEMBL1034321 0.60
SCHEMBL12139950 0.58

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023135532-A1 COMPOUNDS FOR THE PREVENTION AND/ OR TREATMENT OF SENESCENT CELL-RELATED PATHOLOGIES AND DISEASES ISTITUTI CLINICI SCIENTIFICI MAUGERI SPA SB (IT) 2023-07-20 WO disclosed
WO-2023135532-A1 COMPOUNDS FOR THE PREVENTION AND/ OR TREATMENT OF SENESCENT CELL-RELATED PATHOLOGIES AND DISEASES ISTITUTI CLINICI SCIENTIFICI MAUGERI SPA SB (IT) 2023-07-20 WO disclosed
WO-1992002521-A1 1-AZABICYCLO[3.2.0]HEPT-2-ENE-2-CARBOXYLIC ACID COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-02-20 WO disclosed
US-4820847-A Process for the preparation of 4-substituted 1-aryl-5-amino-pyrazoles BAYER AKTIENGESELLSCHAFT (DE) 1989-04-11 US disclosed
EP-0260521-A1 Process for the preparation of 4-substituted-1-aryl-5-amino-pyrazoles BAYER AG (DE) 1988-03-23 EP disclosed