SCHEMBL1726

SCHEMBL1726

[CH2]C#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
SCHEMBL7016815 0.84 CYP1A2 (0.60)
SCHEMBL9433745 0.80 APP (0.55)
Diphenylacetylene SCHEMBL68254 0.79 APP (1.00)
Diphenylacetylene SCHEMBL960609 0.79 APP (1.00)
Diphenylacetylene SCHEMBL29188592 0.79 APP (1.00)
SCHEMBL19439474 0.79 APP (0.61)
Diphenylacetylene SCHEMBL23754282 0.76 APP (0.92)
Diphenylacetylene SCHEMBL31243352 0.76 APP (0.92)
Diphenylacetylene SCHEMBL9273707 0.76 APP (0.92)
Diphenylacetylene SCHEMBL31286315 0.76 APP (0.92)

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 1381 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117946025-A 1-Oxygen-2, 8-diazacyclic sunflower ketone derivative and synthetic method and application thereof 广西师范大学 2024-04-30 CN claimed
CN-117945823-A Method for preparing sulfenamide by condensing sodium sulfenate and aromatic amine under catalysis of chiral pyridine nitrogen oxide 河南师范大学 2024-04-30 CN claimed
WO-2024083670-A2 BROMINE- OR IODINE-PARA-SUBSTITUTED [(1,5-DIPHENYL-1H-1,2,4-TRIAZOL-3-YL)OXY]ACETIC ACID DERIVATIVES AND THEIR SALTS, AGENTS FOR PROTECTING USEFUL PLANTS OR CROP PLANTS COMPRISING THEM, METHODS FOR PRODUCING THEM AND THEIR USE AS SAFENERS BAYER AKTIENGESELLSCHAFT (DE) 2024-04-25 WO claimed
WO-2024083671-A1 BROMINE- OR IODINE-PARA-SUBSTITUTED [(1,5-DIPHENYL-1H-1,2,4-TRIAZOL-3-YL)OXY]ACETIC ACID DERIVATIVES AND SALTS THEREOF, PROTECTION AGENTS COMPRISING THEM, FOR USEFUL PLANTS OR CROP PLANTS, METHODS FOR PRODUCING THEM AND USE THEREOF AS SAFENERS BAYER AKTIENGESELLSCHAFT (DE) 2024-04-25 WO claimed
EP-4337017-A1 HERBICIDE/SAFENER COMBINATION BASED ON SAFENERS FROM THE CLASS OF SUBSTITUTED [(1,5-DIPHENYL-1H-1,2,4-TRIAZOL-3-YL)OXY]ACETIC ACIDS AND THEIR SALTS Bayer Aktiengesellschaft (DE) 2024-03-20 EP claimed
US-20240067623-A1 [(1-PHENYL-5-HETEROARYL-1H-PYRAZOL-3-YL)OXY] ACETIC ACID DERIVATIVES AS SAFENERS FOR THE PROTECTION OF USEFUL PLANTS AND CROP PLANTS BAYER AKTIENGESELLSCHAFT (DE) 2024-02-29 US claimed
CN-117466703-A Method for synthesizing phenyl propargyl fluoride compound by sulfur hexafluoride 国网安徽省电力有限公司电力科学研究院 2024-01-30 CN claimed
CN-117320553-A Herbicide/safener combinations based on substituted [ (1,5-diphenyl-1H-1,2,4-triazol-3-yl) oxy ] acetic acid and its salt safeners 拜耳公司 2023-12-29 CN claimed
US-20230416229-A1 [(1,5-DIHETEROARYL-1H-1,2,4-TRIAZOL-3-YL)OXY] ACETIC ACID DERIVATIVES AS SAFENERS FOR THE PROTECTION OF USEFUL PLANTS AND CROP PLANTS BAYER AKTIENGESELLSCHAFT (DE) 2023-12-28 US claimed
US-20230397604-A1 [(1-PHENYL-5-(HETEROARYL)-1H-1,2,4-TRIAZOL-3-YL)OXY] ACETIC ACID DERIVATIVES AS SAFENERS FOR THE PROTECTION OF USEFUL PLANTS AND CROP PLANTS BAYER AKTIENGELLSCHAFT (DE) 2023-12-14 US claimed
US-4826965-A Metal complexes containing optically active sugar ligands, a process for their preparation and their use as chiral reactants for synthesis of alcohols and amines CIBA-GEIGY CORPORATION (US) 1989-05-02 US claimed
EP-0254685-A2 Complexes with optically active sugar ligands, process for their preparation and their use CIBA-GEIGY AG (CH) 1988-01-27 EP claimed
US-4672068-A Antihypertensive 1,4-dihydropyridines having a conjugated ester FUJIREBIO KABUSHIKI KAISHA (JP) 1987-06-09 US claimed
US-4381310-A Antimycotic substituted 2,4-dichlorophenyl-imidazolyl-vinyl-carbinols BAYER AKTIENGESELLSCHAFT (DE) 1983-04-26 US claimed
EP-0010297-B1 DERIVATIVES OF POLYENE MACROLIDE ANTIBIOTICS CONTAINING AN AMINO SUGAR MOIETY, PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING CORPORATION (US) 1983-04-13 EP claimed
EP-0048828-A1 Substituted 2,4-dichlorophenyl-imidazolyl-vinyl carbinols, process for their preparation and antimicrobial agents containing these compounds BAYER AG (DE) 1982-04-07 EP claimed
EP-0048827-A1 Substituted 2,4-dichlorophenyl-imidazolyl-vinyl ketones, processes for their preparation and antimicrobial agents containing these compounds BAYER AG (DE) 1982-04-07 EP claimed
US-4272525-A FUNGICIDES SCHERING CORPORATION (US) 1981-06-09 US claimed
EP-0010297-A1 Derivatives of polyene macrolide antibiotics containing an amino sugar moiety, process for the preparation thereof, and pharmaceutical compositions containing them SCHERING CORPORATION (US) 1980-04-30 EP claimed
US-3991199-A ANALGESICS AND SEDATIVES ENDO LABORATORIES, INC. (US) 1976-11-09 US claimed