SCHEMBL2550894

SCHEMBL2550894

Nn1c(S)nnc1C(F)(F)F

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
SCHEMBL8632017 0.64 CYP3A4 (0.35)
SCHEMBL11996161 0.61 KDM4E (0.41)
SCHEMBL22023623 0.60 ALDH1A1 (0.39)
SCHEMBL22003985 0.60 ALDH1A1 (0.34)
SCHEMBL22003987 0.60 ALDH1A1 (0.34)
SCHEMBL17397839 0.59
SCHEMBL8628316 0.57
SCHEMBL11590860 0.57
SCHEMBL13734702 0.57
Hydrochloric Acid SCHEMBL7909258 0.57 KDM4E (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-121268027-A Plywood with formaldehyde removal function and preparation method thereof 广东省房语新材科技有限公司 2026-01-06 CN disclosed
EP-3164406-B1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF QPEX BIOPHARMA INC (US) 2024-12-25 EP disclosed
CN-106536529-B Boronic acid derivatives and their therapeutic use 莱姆派克斯制药公司 2019-09-27 CN disclosed
US-10206937-B2 Boronic acid derivatives and therapeutic uses thereof QPEX BIOPHARMA, INC. (US) 2019-02-19 US disclosed
US-9753188-B2 Inorganic-organic hybrid material, optical material using the same, and inorganic-organic composite composition NIPPON KASEI CHEMICAL COMPANY LIMITED (JP) 2017-09-05 US disclosed
US-20170136047-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF REMPEX PHARMACEUTICALS, INC. (US) 2017-05-18 US disclosed
EP-3164406-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF Rempex Pharmaceuticals, Inc. (US) 2017-05-10 EP disclosed
CN-106536529-A Boronic acid derivatives and their therapeutic use 莱姆派克斯制药公司 2017-03-22 CN disclosed
WO-2016003929-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF REMPEX PHARMACEUTICALS, INC. (US) 2016-01-07 WO disclosed
EP-2586826-B1 INORGANIC-ORGANIC HYBRID MATERIAL, OPTICAL MATERIAL USING SAME, AND INORGANIC-ORGANIC COMPOSITE COMPOSITION NIPPON KASEI CHEM (JP) 2015-11-25 EP disclosed
US-20130116362-A1 INORGANIC-ORGANIC HYBRID MATERIAL, OPTICAL MATERIAL USING THE SAME, AND INORGANIC-ORGANIC COMPOSITE COMPOSITION MITSUBISHI CHEMICAL CORPORATION (JP) 2013-05-09 US disclosed
EP-2586826-A1 INORGANIC-ORGANIC HYBRID MATERIAL, OPTICAL MATERIAL USING SAME, AND INORGANIC-ORGANIC COMPOSITE COMPOSITION Nippon Kasei Chemical Company Limited (JP) 2013-05-01 EP disclosed
WO-2011122815-A2 NOVEL QUINOXALINE DERIVATIVES DONG-A PHARM.CO.,LTD. (KR) 2011-10-06 WO disclosed
US-RE35754-E FOR TREATING BACTERIAL INFECTIONS HOECHST AKTIENGESELLSCHAFT (DE) 1998-03-24 US disclosed
US-5710146-A ANTIBIOTICS FOR BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1998-01-20 US disclosed
US-5089490-A Cephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1992-02-18 US disclosed
US-4758556-A Cephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1988-07-19 US disclosed
US-4278793-A ANTIBIOTICS, BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1981-07-14 US disclosed
US-3954981-A Triazolocycloalkylhydrothiadiazine derivatives RICHARDSON-MERRELL INC. (US) 1976-05-04 US disclosed
US-3954984-A ANTISECRETRETORY AGENTS, CENTRAL NERVOUS SYSTEM DEPRESSANTS RICHARDSON-MERRELL INC. (US) 1976-05-04 US disclosed