SCHEMBL448962

SCHEMBL448962

O=[N+]([O-])c1c[c]ncc1

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
SCHEMBL3311686 0.78
SCHEMBL27724939 0.75 HSPB1 (0.53)
SCHEMBL545380 0.69
Ammonia Solution, Strong SCHEMBL27496972 0.67 MAPT (0.63)
Hydrochloric Acid SCHEMBL27929116 0.67 MAPT (0.63)
SCHEMBL19859330 0.65 MAPT (0.61)
SCHEMBL297591 0.65
SCHEMBL449171 0.65
SCHEMBL9486037 0.65 CYP19A1 (0.39)
Pyrazine SCHEMBL27515795 0.64 MAPT (0.65)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240197898-A1 SUBSTITUTED BENZO[5,6][1,4]DIAZEPINO[1,2-a]INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISORDERS IMMUNOGEN, INC. 2024-06-20 US claimed
CN-116606279-A Fluoroquinolone compound and preparation method and application thereof 广东工业大学 2023-08-18 CN claimed
CN-116514903-A Cytotoxic benzodiazepine derivatives 伊缪诺金公司 2023-08-01 CN claimed
US-20230233697-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2023-07-27 US claimed
US-20230094471-A1 CYTOTOXIC BIS-BENZODIAZEPINE DERIVATIVES AND CONJUGATES THEREOF WITH CELL-BINDING AGENTS FOR INHIBITING ABNORMAL CELL GROWTH OR FOR TREATING PROLIFERATIVE DISEASES IMMUNOGEN, INC. (US) 2023-03-30 US claimed
CN-111909082-B Pyridine hydrazone derivatives, and preparation method and application thereof 湖南大学 2022-09-13 CN claimed
EP-3947395-A1 CYTOTOXIC BIS-BENZODIAZEPINE DERIVATIVES AND CONJUGATES THEREOF WITH CELL-BINDING AGENTS FOR INHIBITING ABNORMAL CELL GROWTH OR FOR TREATING PROLIFERATIVE DISEASES ImmunoGen, Inc. (US) 2022-02-09 EP claimed
CN-113661172-A Cytotoxic bis-benzodiazepine derivatives and conjugates thereof with cell-binding agents for use in inhibiting abnormal cell growth or treating proliferative diseases 伊缪诺金公司 2021-11-16 CN claimed
CN-113121517-A Triazole derivative and preparation method and application thereof 中山大学 2021-07-16 CN claimed
US-20200397914-A1 BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2020-12-24 US claimed
EP-1438053-A1 PYRIMIDINE DERIVATIVES, PHARMACEUTICAL AGENT CONTAINING SAID COMPOUNDS, USE AND METHOD FOR MAKING SAME Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-07-21 EP claimed
WO-2003032997-A1 PYRIMIDINE DERIVATIVES, PHARMACEUTICAL AGENT CONTAINING SAID COMPOUNDS, USE AND METHOD FOR MAKING SAME BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-04-24 WO claimed
US-5403932-A Phosphoramidates useful as antitumor agents RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1995-04-04 US claimed
EP-0233051-B1 ANTIARRHYTHMIC AGENTS Pfizer Limited (GB) 1993-09-15 EP claimed
EP-0418292-A4 PHOSPHORAMIDES USEFUL AS ANTITUMOR AGENTS 1991-09-25 EP claimed
EP-0418292-A1 PHOSPHORAMIDES USEFUL AS ANTITUMOR AGENTS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1991-03-27 EP claimed
WO-1989011484-A1 PHOSPHORAMIDES USEFUL AS ANTITUMOR AGENTS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1989-11-30 WO claimed
EP-0324543-A2 Antiarrhythmic agents Pfizer Limited (GB) 1989-07-19 EP claimed
US-4806536-A Piperazinyl-substituted pyridine and imidazole anti-arrhythmic agents PFIZER, INC. (US) 1989-02-21 US claimed
EP-0233051-A2 Antiarrhythmic Agents Pfizer Limited (GB) 1987-08-19 EP claimed