SCHEMBL689587

SCHEMBL689587

NCCCN=C(N)N

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
Bromide SCHEMBL11026850 0.97 CYP1A2 (0.79)
Hydrochloric Acid SCHEMBL28414629 0.97 CYP1A2 (0.79)
Agmatine SCHEMBL195497 0.91
SCHEMBL6700147 0.88 DHPS (1.00)
SCHEMBL29454036 0.88 DHPS (1.00)
SCHEMBL6698421 0.88 DHPS (1.00)
SCHEMBL6693210 0.88 DHPS (1.00)
SCHEMBL6698306 0.88 DHPS (1.00)
Agmatine SCHEMBL1738246 0.88 CYP1A2 (0.94)
SCHEMBL1736351 0.83 CYP1A2 (0.67)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111685134-A Mite-removing and bacterium-inhibiting composition containing plant essential oil and application thereof 北京美科兴业生物科技有限公司 2020-09-22 CN claimed
CN-105980539-A Liquid laundry detergent composition for clothing 隆萨有限公司 2016-09-28 CN claimed
US-12291724-B2 Tumor-infiltrating lymphocytes for adoptive cell therapy H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2025-05-06 US disclosed
CN-119736220-A Corynebacterium glutamicum engineering bacteria for producing spermidine and application 西安卓虹超源生物科技有限公司 2025-04-01 CN disclosed
CN-119736175-A Saccharomyces cerevisiae engineering bacteria for producing spermidine and application 西安卓虹超源生物科技有限公司 2025-04-01 CN disclosed
US-11518980-B2 Tumor-infiltrating lymphocytes for adoptive cell therapy H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2022-12-06 US disclosed
US-20220282215-A1 TUMOR-INFILTRATING LYMPHOCYTES FOR ADOPTIVE CELL THERAPY UNIVERSITY OF SOUTH FLORIDA 2022-09-08 US disclosed
CN-111685134-A Mite-removing and bacterium-inhibiting composition containing plant essential oil and application thereof 北京美科兴业生物科技有限公司 2020-09-22 CN disclosed
CN-108047664-A A kind of anti-flaming PBT composite and its preparation method and application 李宇涵 2018-05-18 CN disclosed
CN-104519858-B Include the mouthwash of epoxide, the first acid and the second acid 高露洁-棕榄公司 2018-04-20 CN disclosed
CN-106028818-A Synergistic bactericidal/antibacterial and antifungal composition 隆萨有限公司 2016-10-12 CN disclosed
WO-2000009115-A1 GRP RECEPTOR LIGANDS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-24 WO disclosed
US-4374839-A INHIBITORS OF H-2 HISTAMINE RECEPTORS SMITHKLINE & FRENCH LABORATORIES LIMITED (GB) 1983-02-22 US disclosed
US-4282224-A ANTIHISTAMINE, RECEPTOR BLOCKING AGENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-08-04 US disclosed
US-4269844-A HISTAMINE ANTAGONIST; ANTISECRETORY, ANTIINFLAMMATORY, AND HYPOTENSIVE AGENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-05-26 US disclosed
US-4226852-A ALKALINITY, AMMONIA-FREE, GUANIDINE DERIVATIVE HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1980-10-07 US disclosed
US-4219553-A INHIBITORS OF H-2 HISTAMINE RECEPTORS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-08-26 US disclosed
US-4210652-A INHIBITORS OF H-2 HISTAMINE RECEPTORS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-07-01 US disclosed
US-4186186-A Guanidine accelerators for peroxide hair bleaching compositions HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 1980-01-29 US disclosed
US-4139624-A INHIBITORS OF H-2 HISTAMINE RECEPTORS SMITHKLINE & FRENCH LABORATORIES LIMITED (GB) 1979-02-13 US disclosed