SCHEMBL654712

SCHEMBL654712

[CH]=CCC#C

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
SCHEMBL5694210 0.70
SCHEMBL8760177 0.64
SCHEMBL4667264 0.64
SCHEMBL4592861 0.64
SCHEMBL22821 0.64
SCHEMBL20483051 0.64
SCHEMBL261434 0.64
SCHEMBL6477842 0.64
SCHEMBL518032 0.64
SCHEMBL3989061 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115386078-B Dispersants and compositions 三星电机株式会社 2023-08-11 CN claimed
CN-115386078-A Dispersants and compositions 三星电机株式会社 2022-11-25 CN claimed
CN-112724349-B Polymer and use thereof 立邦涂料(中国)有限公司 2024-07-05 CN disclosed
CN-114685487-B Pyrimidine heterocyclic compounds, preparation method and application 上海凌达生物医药有限公司 2024-04-19 CN disclosed
CN-117800976-A Nitrogen-containing heterocyclic compound, preparation method and application 上海凌达生物医药有限公司 2024-04-02 CN disclosed
EP-4327877-A2 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRad Therapeutics, Inc. (US) 2024-02-28 EP disclosed
EP-3705480-B1 CLASS OF AMINO-SUBSTITUTED NITROGEN-CONTAINING FUSED RING COMPOUNDS, PREPARATION METHOD THEREFOR, AND USE THEREOF SHANGHAI RINGENE BIOPHARMA CO LTD (CN) 2024-02-28 EP disclosed
CN-114805361-B Amino substituted aromatic heterocyclic pyrazole compound, preparation method and application 上海凌达生物医药有限公司 2024-02-20 CN disclosed
CN-113527299-B Nitrogen-containing condensed ring compound, preparation method and application 上海凌达生物医药有限公司 2023-12-29 CN disclosed
CN-114907350-B Nitrogen-containing condensed ring compound, preparation method and application 上海凌达生物医药有限公司 2023-12-29 CN disclosed
CN-113563323-B Benzothiazolyl biaryl compound, preparation method and application 上海凌达生物医药有限公司 2023-12-01 CN disclosed
WO-2004022533-A1 NOVEL VINYL CARBOXYLIC ACID DERIVATIVES AND THEIR THERAPEUTICAL USE NOVO NORDISK A/S (DK) 2004-03-18 WO disclosed
US-20030139473-A1 Novel compounds, their preparation and use VTVX HOLDINGS II LLC 2003-07-24 US disclosed
WO-2003032984-A1 2-PHENYL BENZIMIDAZOLES AND IMIDAZO-[4,5]-PYRIDINES AS CDSI/CHK2-INHIBITORS AND ADJUVANTS TO CHEMOTHERAPY OR RADIATION THERAPY IN THE TREATMENT OF CANCER ORTHO-MCNEIL PHARMACEUTICAL,INC. (US) 2003-04-24 WO disclosed
WO-2003011807-A1 NOVEL VINYL CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS ANTIDIABETICS ETC. NOVO NORDISK A/S (DK) 2003-02-13 WO disclosed
US-5166341-A Selective antagonist of serotonin 3(5-HT3) receptor DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1992-11-24 US disclosed
EP-0510947-A1 N-Hydroxy (thio)ureas as 5-lipoxygenase inhibitors ELI LILLY AND COMPANY (US) 1992-10-28 EP disclosed
US-5130485-A For treatment of asthma, arthritis, allergy, inflammatory bowel disease, psoriasis, respiratory system disorders and antiischemic agents ELI LILLY AND COMPANY (US) 1992-07-14 US disclosed
US-5017573-A Serotonin receptor antagonist DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1991-05-21 US disclosed
EP-0358903-A2 Indazole-3-carboxylic acid derivatives DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1990-03-21 EP disclosed