SCHEMBL5324

SCHEMBL5324

C#CC(C)OC(C)C#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
SCHEMBL3406974 0.96
SCHEMBL9918890 0.86
SCHEMBL17789950 0.81
SCHEMBL29976674 0.81
SCHEMBL11513439 0.81
SCHEMBL2442339 0.74
SCHEMBL4025745 0.74
SCHEMBL751417 0.74
SCHEMBL14969524 0.74
SCHEMBL2192426 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110483291-B Synthesis method of (E) -beta-aryl-beta, gamma-unsaturated ester compound 安阳师范学院 2021-09-10 CN claimed
CN-110627718-A Synthesis method of (E) -beta-monofluoroalkyl-beta, gamma-unsaturated amide 安阳师范学院 2019-12-31 CN claimed
US-4631247-A Acetylene compounds as shelf life improvers for photoresist compositions containing organic iodides HERCULES INCORPORATED (US) 1986-12-23 US claimed
EP-0088383-B1 PROCESS FOR PREPARING THE COMPOUND 1-METHOXY-6-CHLORO-HEXYNE-2 Montedison S.p.A. (IT) 1986-01-15 EP claimed
US-12508268-B2 Inhibitors of tryptophan dioxygenases (IDO1 and TDO) and their use in therapy AUCKLAND UNISERVICES LIMITED (NZ) 2025-12-30 US disclosed
WO-2025217100-A1 METHODS AND SYSTEMS FOR STORING ODORIZED FLUIDS CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2025-10-16 WO disclosed
EP-3835284-B1 INTERMOLECULAR REACTION OF PROPARGYL ETHERS WITH DIMETHYLFURAN IN THE PRESENCE OF GOLD(I) COMPLEXES DSM IP ASSETS BV (NL) 2024-09-25 EP disclosed
US-20240285641-A1 INHIBITORS OF TRYPTOPHAN DIOXYGENASES (IDO1 and TDO) AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2024-08-29 US disclosed
US-11826316-B2 Inhibitors of tryptophan dioxygenases (IDO1 and TDO) and their use in therapy AUCKLAND UNISERVICES LIMITED (NZ) 2023-11-28 US disclosed
CN-115974896-A Novel pyrimidopyridine compounds, pharmaceutical compositions thereof and uses thereof 广东东阳光药业有限公司 2023-04-18 CN disclosed
EP-3693358-B1 NITROGEN-CONTAINING HETEROARYL COMPOUND, AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2023-02-22 EP disclosed
CN-115551841-A Azetidin-3-ylcarbinol derivatives as modulators of the CCR6 receptor 爱杜西亚药品有限公司 2022-12-30 CN disclosed
EP-0285837-A1 Imidazodiazepin derivatives F. HOFFMANN-LA ROCHE AG (CH) 1988-10-12 EP disclosed
EP-0279063-A1 Allenyl amines MERRELL DOW PHARMACEUTICALS INC. (US) 1988-08-24 EP disclosed
US-4631247-A Acetylene compounds as shelf life improvers for photoresist compositions containing organic iodides HERCULES INCORPORATED (US) 1986-12-23 US disclosed
US-4433147-A ALKYLATION CARBO ACID WITH 3-CHLORO-1-METHOXY-PROPENE, BROMOACYLATION, REACTING WITH 2,4,5,6-TETRACAMINOPYRIMIDINE, CYCLIZATION AND DEHYDROGENATION DEGRAW JR JOSEPH I (US) 1984-02-21 US disclosed
EP-0088383-A1 Process for preparing the compound 1-methoxy-6-chloro-hexyne-2 Montedison S.p.A. (IT) 1983-09-14 EP disclosed
EP-0011608-A1 Novel allenic amine and acid addition salts thereof, a process for their preparation, pharmaceutical preparations comprising them and the use of these compounds in the preparation of pharmaceutical compositions Astra Läkemedel Aktiebolag (SE) 1980-05-28 EP disclosed
US-4046797-A HERBICIDES AMERICAN CYANAMID COMPANY (US) 1977-09-06 US disclosed
US-3932668-A 2,3,3-TRIIODO-ALLYL-METHYL ETHER MEIJI SEIKA KAISHA, LTD. (JA) 1976-01-13 US disclosed