SCHEMBL1107488

SCHEMBL1107488

Cn1nnnc1CCl

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
SCHEMBL6474091 0.78 ALDH1A1 (0.36)
SCHEMBL14727991 0.76
SCHEMBL7352222 0.75
SCHEMBL10616300 0.75
SCHEMBL2933578 0.75
SCHEMBL2869460 0.75
SCHEMBL2869462 0.75
SCHEMBL2094376 0.75
SCHEMBL4405692 0.73
SCHEMBL17507446 0.73 ALDH1A1 (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240002355-A1 PROCESS FOR THE MANUFACTURE OF TETRAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2024-01-04 US claimed
EP-4247799-A1 NEW PROCESS FOR THE MANUFACTURE OF TETRAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2023-09-27 EP claimed
CN-116635372-A Novel process for producing tetrazole derivatives 豪夫迈·罗氏有限公司 2023-08-22 CN claimed
WO-2022106669-A1 NEW PROCESS FOR THE MANUFACTURE OF TETRAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2022-05-27 WO claimed
US-12495798-B2 Nicotinamide compound and herbicidal composition comprising compound KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2025-12-16 US disclosed
US-20250326759-A1 PROCESS FOR PREPARING 1-[5-TERT-BUTYL-3-[(1-METHYLTETRAZOL-5-YL)METHYL]TRIAZOLO[4,5-D]PYRIMIDIN-7-YL]PYRROLIDIN-3-OL HOFFMANN-LA ROCHE INC. (US) 2025-10-23 US disclosed
EP-4536663-A1 A PROCESS FOR PREPARING 1-[5-TERT-BUTYL-3-[(1-METHYLTETRAZOL-5 -YL)METHYL]TRIAZOLO[4,5-D]PYRIMIDIN-7-YL]PYRROLIDIN-3-OL F. Hoffmann-La Roche AG (CH) 2025-04-16 EP disclosed
WO-2025021868-A1 TRAF2 INHIBITORS FOR THE TREATMENT OF CANCER AND OTHER DISEASES Helmholtz Zentrum München - Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) 2025-01-30 WO disclosed
CN-119325477-A Process for the preparation of 1- [ 5-tert-butyl-3- [ (1-methyltetrazol-5-yl) methyl ] triazolo [4,5-d ] pyrimidin-7-yl ] pyrrolidin-3-ol 豪夫迈·罗氏有限公司 2025-01-17 CN disclosed
US-12091425-B2 Compounds that inhibit MCL-1 protein AMGEN INC. (US) 2024-09-17 US disclosed
EP-4423087-A1 SYNTHESIS OF [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINES F. Hoffmann-La Roche AG (CH) 2024-09-04 EP disclosed
US-20240287084-A1 SYNTHESIS OF [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINES HOFFMANN-LA ROCHE INC. (US) 2024-08-29 US disclosed
US-4616026-A Antifungal 2-aryl-1,1-difluoro-3-(1H-1,2,4-triazol-1-yl)2-propanols PFIZER INC. (US) 1986-10-07 US disclosed
EP-0035046-B1 NOVEL TETRAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND ANTI-ULCER COMPOSITION CONTAINING THE SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1985-10-02 EP disclosed
US-4540703-A Tetrazole derivatives, anti-ulcer composition containing the same and method for treating ulcers OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1985-09-10 US disclosed
EP-0117100-A1 Triazole antifungal agents Pfizer Limited (GB) 1984-08-29 EP disclosed
EP-0096296-A2 1-Sulfo-2-oxoazetidine derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1983-12-21 EP disclosed
US-4309428-A Maytansinoids TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1982-01-05 US disclosed
EP-0035046-A1 Novel tetrazole derivatives, process for the preparation thereof, and anti-ulcer composition containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1981-09-09 EP disclosed
EP-0025496-A1 Maytansinoids, their production and therapeutic compositions containing them Takeda Chemical Industries, Ltd. (JP) 1981-03-25 EP disclosed