SCHEMBL21742931

SCHEMBL21742931

Nc1cc(C(F)F)ns1

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
SCHEMBL21723036 0.64 ALDH1A1 (0.32)
SCHEMBL9905505 0.62
SCHEMBL21722751 0.62 CA2 (0.40)
SCHEMBL3295020 0.58 FFAR4 (0.34)
SCHEMBL23012647 0.57 CA2 (0.45)
SCHEMBL8247736 0.57
SCHEMBL13273096 0.57
SCHEMBL1795530 0.57
SCHEMBL2573898 0.57 HSD17B10 (0.35)
Hydrochloric Acid SCHEMBL22532201 0.56 SMN1; SMN2 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12358906-B2 Urea compounds and compositions as SMARCA2/BRM ATPase inhibitors NOVARTIS AG (CH) 2025-07-15 US disclosed
CN-114945571-B Cyclic compounds and methods of use thereof 薛定谔公司 2025-02-25 CN disclosed
CN-118666832-A Urea compounds and compositions as SMARCA2/BRM atpase inhibitors 诺华股份有限公司 2024-09-20 CN disclosed
US-20240270738-A1 UREA COMPOUNDS AND COMPOSITIONS AS SMARCA2/BRM ATPASE INHIBITORS NOVARTIS AG (CH) 2024-08-15 US disclosed
CN-112585136-B Urea compounds and compositions as SMARCA2/BRM atpase inhibitors 诺华股份有限公司 2024-06-25 CN disclosed
US-11958846-B2 Urea compounds and compositions as SMARCA2/BRM ATPase inhibitors NOVARTIS AG (CH) 2024-04-16 US disclosed
US-20240018157-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRÖDINGER, INC. 2024-01-18 US disclosed
US-20240018157-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRÖDINGER, INC. 2024-01-18 US disclosed
EP-4219488-A1 METHOD FOR THE PREPARATION OF UREA COMPOUNDS AS SMARCA2/BRM-ATPASE INHIBITORS Novartis AG (CH) 2023-08-02 EP disclosed
EP-3837256-B1 UREA COMPOUNDS AND COMPOSITIONS AS SMARCA2/BRM-ATPASE INHIBITORS NOVARTIS AG (CH) 2023-03-08 EP disclosed
EP-4081526-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME Schrödinger, Inc. (US) 2022-11-02 EP disclosed
CN-114945571-A Cyclic compounds and methods of use thereof 薛定谔公司 2022-08-26 CN disclosed
US-20210323956-A1 UREA COMPOUNDS AND COMPOSITIONS AS SMARCA2/BRM ATPASE INHIBITORS NOVARTIS AG (CH) 2021-10-21 US disclosed
US-20210323956-A1 UREA COMPOUNDS AND COMPOSITIONS AS SMARCA2/BRM ATPASE INHIBITORS NOVARTIS AG (CH) 2021-10-21 US disclosed
WO-2021134004-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRODINGER, INC. (US) 2021-07-01 WO disclosed
CN-112585136-A Urea compounds and compositions as SMARCA2/BRM ATPase inhibitors 诺华股份有限公司 2021-03-30 CN disclosed
WO-2020035779-A1 UREA COMPOUNDS AND COMPOSITIONS AS SMARCA2/BRM ATPASE INHIBITORS NOVARTIS AG (CH) 2020-02-20 WO disclosed