SCHEMBL3976079

SCHEMBL3976079

Brc1cccc2c1CC2

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
SCHEMBL2066611 0.89 CYP2A6 (0.43)
Formic Acid SCHEMBL31154346 0.87 MEN1 (0.39)
SCHEMBL1513686 0.85 BCL2L1 (0.50)
SCHEMBL29428684 0.85 BCL2L1 (0.56)
SCHEMBL29459963 0.85 BCL2L1 (0.50)
SCHEMBL1513618 0.85 BCL2L1 (0.56)
SCHEMBL24265323 0.80 HTR2C (0.56)
SCHEMBL1868979 0.78 CYP2A6 (0.52)
SCHEMBL1662187 0.78 CYP2A6 (0.52)
SCHEMBL10696964 0.78 ADRA2A (0.61)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116635373-B Amide derivatives and use thereof 康百达(四川)生物医药科技有限公司 2026-05-19 CN disclosed
CN-122036626-A Pyrimidine-2 (1H) -ketone derivative, pharmaceutical composition and application thereof 上海青润医药科技有限公司 2026-05-15 CN disclosed
US-20260132257-A1 OPEN-CAGE BENZOCYCLOBUTENYL POLYHEDRAL OLIGOMERIC SILSESQUIOXANE, CURED MATERIAL, AND PREPARATION METHODS AND USE THEREOF XIAN BESTI NEW MATERIAL TECH CO LTD (CN) 2026-05-14 US disclosed
CN-116635374-B Amide derivatives and use thereof 康百达(四川)生物医药科技有限公司 2025-05-06 CN disclosed
US-12264134-B2 Substituted piperazine amide compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors MERCK SHARP & DOHME LLC (US) 2025-04-01 US disclosed
WO-2025040089-A1 NOVEL HETEROCYCLIC COMPOUND FOR SELECTIVELY REGULATING CANNABINOID CB1 FUNCTION 德睿智药(苏州)新药研发有限公司 2025-02-27 WO disclosed
CN-119285954-A Open cage type benzocyclobutenyl polysilsesquioxane thermosetting resin and preparation method and application thereof 西北工业大学 2025-01-10 CN disclosed
EP-3886845-B1 NOVEL SUBSTITUTED PIPERAZINE AMIDE COMPOUNDS AS INDOLEAMINE 2, 3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-09-04 EP disclosed
CN-118290330-A Amide derivative and application thereof in medicine 成都百裕制药股份有限公司 2024-07-05 CN disclosed
US-11976054-B2 Amide derivative and preparation method therefore and use thereof in medicine CHENGDU BAIYU PHARMACEUTICAL CO., LTD. (CN) 2024-05-07 US disclosed
US-20170081550-A1 ARYLCYCLOBUTENES U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2017-03-23 US disclosed
EP-3144359-A1 ARYLCYCLOBUTENES Dow Global Technologies LLC (US) 2017-03-22 EP disclosed
US-9441055-B1 Arylcyclobutenes DOW GLOBAL TECHNOLOGIES LLC (US) 2016-09-13 US disclosed
US-9269905-B2 Polymer compound having carbon cluster structure and organic device using same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-02-23 US disclosed
EP-2067805-B1 POLYMER COMPOUND AND POLYMER LIGHT-EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL CO (JP) 2014-12-17 EP disclosed
US-8815414-B2 Polymer compound and polymer light emitting device using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-08-26 US disclosed
US-20130270545-A1 POLYMER COMPOUND HAVING CARBON CLUSTER STRUCTURE AND ORGANIC DEVICE USING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-10-17 US disclosed
US-20090315453-A1 POLYMER COMPOUND AND POLYMER LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-12-24 US disclosed
EP-2067805-A1 POLYMER COMPOUND AND POLYMER LIGHT-EMITTING DEVICE USING THE SAME Sumitomo Chemical Company, Limited (JP) 2009-06-10 EP disclosed
US-5567835-A Preparation of a vinylsiloxane-benzocylobutene from a hydrolyzable vinylsilane-benzocylobutene THE DOW CHEMICAL COMPANY (US) 1996-10-22 US disclosed