SCHEMBL680606

SCHEMBL680606

CC(C)(C)c1ccon1

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
Hydrochloric Acid SCHEMBL27729812 0.97 RAB9A (0.32)
SCHEMBL27256470 0.80 KDM4E (0.33)
SCHEMBL12817376 0.80
SCHEMBL14026632 0.77 CYP1A2 (0.36)
SCHEMBL13236412 0.77 CYP1A2 (0.40)
SCHEMBL29899254 0.77
SCHEMBL27570211 0.76
SCHEMBL11493274 0.75 TAAR1 (0.39)
SCHEMBL29899227 0.75 CYP1A2 (0.32)
SCHEMBL16174569 0.75 JAK2 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113354630-B 5,6-dihydrobenzo [ h ] quinazoline compound and application thereof 江南大学 2022-11-01 CN claimed
CN-113354630-A 5, 6-dihydrobenzo [ h ] quinazoline compound and application thereof 江南大学 2021-09-07 CN claimed
EP-0101034-B1 METHOD FOR PREPARING 3-AMINO-5-(SUBSTITUTED)ISOXAZOLE PPG INDUSTRIES, INC. (US) 1986-10-22 EP claimed
US-12202826-B2 N-pyridinyl acetamide derivatives as inhibitors of the Wnt signaling pathway REDX PHARMA PLC (GB) 2025-01-21 US disclosed
US-12043623-B2 Purinones as ubiquitin-specific protease 1 inhibitors FORMA THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2024-07-16 US disclosed
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2024-07-16 US disclosed
US-12024525-B2 Benzodiazepine derivatives, compositions, and methods for treating cognitive impairment AGENEBIO, INC. (US) 2024-07-02 US disclosed
US-12024500-B2 Five-membered ring-substituted pyridazinol compounds and derivatives, preparation methods, herbicidal compositions and applications thereof QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2024-07-02 US disclosed
US-20240067673-A1 MODIFIED NUCLEOSIDE OR NUCLEOTIDE BGI SHENZHEN (CN) 2024-02-29 US disclosed
US-20240067673-A1 MODIFIED NUCLEOSIDE OR NUCLEOTIDE BGI SHENZHEN (CN) 2024-02-29 US disclosed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 US disclosed
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2006-02-02 US disclosed
US-20060025416-A1 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2006-02-02 US disclosed
EP-0870764-A1 Sulfonamides and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORPORATION (US) 1998-10-14 EP disclosed
EP-0046193-B1 1-HYDROXYPYRAZOLE AND PROCESS FOR PREPARING THE SAME BASF Aktiengesellschaft (DE) 1983-09-28 EP disclosed
EP-0010262-B1 PROCESS FOR PREPARING 3-AMINO-5-T-BUTYLISOXAZOLE SHIONOGI & CO., LTD. (JP) 1983-01-26 EP disclosed
US-4350819-A 1-Hydroxypyrazole BASF AKTIENGESELLSCHAFT (DE) 1982-09-21 US disclosed
EP-0046193-A1 1-Hydroxypyrazole and process for preparing the same BASF Aktiengesellschaft (DE) 1982-02-24 EP disclosed
EP-0010262-A1 Process for preparing 3-amino-5-t-butylisoxazole SHIONOGI & CO., LTD. (JP) 1980-04-30 EP disclosed