SCHEMBL168131

SCHEMBL168131

[C-]#[N+]Cc1ccccc1

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
Benzylamine SCHEMBL8107897 0.88 LOXL2 (0.64)
SCHEMBL407367 0.80 DHFR (0.39)
SCHEMBL10641123 0.79 TP53 (0.37)
SCHEMBL29951674 0.79 LTA4H (0.55)
SCHEMBL30028871 0.77 HRH3 (0.41)
SCHEMBL5452057 0.76 TAAR1 (0.50)
SCHEMBL29951474 0.76 TAAR1 (0.50)
SCHEMBL8780548 0.75 CALM1 (0.50)
SCHEMBL5672968 0.74 IDO1 (0.48)
SCHEMBL11740256 0.72 ESR1 (0.50)

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 1090 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118580442-A Method for preparing self-repairing functional material based on Ugi reaction and dynamic borate ester bond by one-pot method 平顶山神马工程塑料科技发展有限公司 2024-09-03 CN claimed
CN-118530451-A Method for preparing self-repairing polyamide type ionic gel based on Ugi multicomponent polymerization reaction 平顶山神马工程塑料科技发展有限公司 2024-08-23 CN claimed
CN-115716737-B High-strength rubber concrete containing composite fiber interface filler and preparation method thereof 永清县优通建筑工程有限公司 2024-04-26 CN claimed
WO-2024020584-A2 GRAYSCALE FABRICATION OF 4D MATERIALS UNIVERSITY OF WASHINGTON (US) 2024-01-25 WO claimed
CN-114957231-B GPX4 protein targeted degradation chimeric body and preparation method and application thereof 浙江工业大学 2023-12-05 CN claimed
CN-115975210-B Medical silica gel and preparation method thereof 厦门立方幻境科技有限公司 2023-07-14 CN claimed
CN-113912526-B Preparation method of N-acetyl tellurium carbamic acid ester compound 上海大学 2023-07-14 CN claimed
EP-3310164-B1 METHOD AND SYSTEM FOR ATTRACTING LEPIDOPTEROUS INSECTS THE NEW ZEALAND INSTITUTE FOR PLANT AND FOOD RESEACH LTD (NZ) 2023-06-07 EP claimed
CN-115975210-A Medical silica gel and preparation method thereof 厦门立方幻境科技有限公司 2023-04-18 CN claimed
CN-109734682-B Cyclic alkenylimine medical intermediate, preparation method and application thereof as medicament for inhibiting growth of cancer cells 三峡大学 2022-10-21 CN claimed
US-20030203542-A1 Protected bond fingers INTEL CORPORATION 2003-10-30 US claimed
EP-1322906-A1 OPTICAL DATA STORAGE DEVICE CONTAINING A CO-PHTHALOCYANIN COMPLEX IN THE OPTICALLY WRITABLE INFORMATION LAYER Bayer Aktiengesellschaft (DE) 2003-07-02 EP claimed
WO-2003000651-A2 METHOD FOR THE HEMIHYDROGENATION OF DINITRILES IN ORDER TO FORM AMINONITRILES RHODIA POLYAMIDE INTERMEDIATES (FR) 2003-01-03 WO claimed
US-20020127366-A1 Optical data stores containing a Co-phthalocyanine complex in the information layer recordable using light LANXESS DEUTSCHLAND GMBH (DE) 2002-09-12 US claimed
WO-2002025205-A1 OPTICAL DATA STORAGE DEVICE CONTAINING A CO-PHTHALOCYANIN COMPLEX IN THE OPTICALLY WRITABLE INFORMATION LAYER BAYER AKTIENGESELLSCHAFT (DE) 2002-03-28 WO claimed
EP-0125617-B1 Method for producing a metallized polymer from the polymer composition NISSAN CHEMICAL IND LTD (JP) 1993-12-08 EP claimed
US-4781912-A RADIODIAGNOSIS MALLINCKRODT, INC. (US) 1988-11-01 US claimed
EP-0226259-A2 Cationic complex of technetium-99m Mallinckrodt, Inc. (a Delaware corporation) (US) 1987-06-24 EP claimed
US-4604303-A Polymer composition containing an organic metal complex and method for producing a metallized polymer from the polymer composition NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1986-08-05 US claimed
EP-0125617-A2 Method for producing a metallized polymer from the polymer composition NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1984-11-21 EP claimed