SCHEMBL501453

SCHEMBL501453

CC=CC(C)Cl

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
SCHEMBL501452 1.00
SCHEMBL13451383 1.00
SCHEMBL3801740 0.79
SCHEMBL11288606 0.79
SCHEMBL3801746 0.79
Tetrahydrofuran SCHEMBL11794249 0.79 ALDH1A1 (0.38)
SCHEMBL244754 0.72
SCHEMBL2398235 0.72
SCHEMBL4846104 0.72
SCHEMBL1968046 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107722913-B Chloroprene rubber modified flame-retardant polyurethane sealant and preparation method thereof 广东普赛达密封粘胶有限公司 2020-12-04 CN claimed
US-20080054171-A1 Target for Laser Desorption/Ionisation Mass Spectrometry PHYSIKALISCHES BURO STEINMULLER GMBH 2008-03-06 US claimed
WO-2007104727-A1 SUBSTITUTED ALKENES AS INITIATORS FOR CATIONIC POLYMERIZATION BASF AKTIENGESELLSCHAFT (DE) 2007-09-20 WO claimed
EP-0132543-B1 ISOMERIZATION OF ALLYLIC HALIDES WITH QUATERNARY SALTS Union Camp Corporation (US) 1986-10-08 EP claimed
EP-0132543-A1 Isomerization of allylic halides with quaternary salts Union Camp Corporation (US) 1985-02-13 EP claimed
US-12612352-B2 Process for preparing perfuming intermediate FIRMENICH SA (CH) 2026-04-28 US disclosed
US-12252511-B2 Process for the preparation of cyclic depsipeptides ONKURE, INC. (US) 2025-03-18 US disclosed
US-20240116989-A1 PROCESS FOR THE PREPARATION OF CYCLIC DEPSIPEPTIDES ONKURE, INC. (US) 2024-04-11 US disclosed
US-11739123-B2 Process for the preparation of cyclic depsipeptides ONKURE, INC. (US) 2023-08-29 US disclosed
CN-110156874-B Cyclic depsipeptide compounds 恩库勒公司 2023-04-18 CN disclosed
US-20230095887-A1 PROCESS FOR PREPARING PERFUMING INTERMEDIATE FIRMENICH SA (CH) 2023-03-30 US disclosed
EP-4069667-A1 PROCESS FOR PREPARING PERFUMING INTERMEDIATE Firmenich SA (CH) 2022-10-12 EP disclosed
EP-0000554-A1 Process for the preparation of oxiranes substituted by halogen alkyl BAYER AG (DE) 1979-02-07 EP disclosed
EP-0000555-A1 Process for the preparation of oxiranes substituted by halogen alkyl BAYER AG (DE) 1979-02-07 EP disclosed
US-4111952-A Process for preparing lower lactams from allylic amine substrates TEXACO INC. (US) 1978-09-05 US disclosed
US-4110340-A Process for preparing lower lactams from allylic halide substrates TEXACO INC. (US) 1978-08-29 US disclosed
US-4000327-A BERRY FRUIT FOODSTUFFS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-12-28 US disclosed
US-3984579-A Novel flavoring compositions and products containing isomer mixtures containing high proportions of 2-methyl-cis-3-pentenoic acid INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-10-05 US disclosed
US-3931306-A Process for producing isomer mixtures containing high proportions of cis-2-methyl-3-pentenoic acid INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-01-06 US disclosed
US-3931293-A Processes for producing cis alkyl-2-methyl-3-pentenoates and isomer mixtures containing high proportions of cis alkyl-2-methyl-3-pentenoates INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-01-06 US disclosed