SCHEMBL4337520

SCHEMBL4337520

CC(Br)C1OCCO1

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
SCHEMBL1545883 0.88
SCHEMBL3388188 0.86
SCHEMBL3011276 0.75
SCHEMBL239750 0.73
SCHEMBL3079746 0.73
SCHEMBL11597410 0.71
SCHEMBL5964967 0.69
SCHEMBL11512895 0.69
SCHEMBL23522571 0.69
SCHEMBL8935223 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106495271-A A kind of degreaser of polymer drive extraction sewage and preparation method thereof 烟台史密得机电设备制造有限公司 2017-03-15 CN claimed
CN-111587284-B Aldehyde odor agent 弗门尼舍有限公司 2024-05-17 CN disclosed
US-11530367-B2 Aldehydic odorant FIRMENICH SA (CH) 2022-12-20 US disclosed
US-11180523-B2 Design, synthesis and use of synthetic nucleotides comprising charge mass tags QUANTUMDX GROUP LIMITED (GB) 2021-11-23 US disclosed
US-20210095225-A1 Aldehydic Odorant FIRMENICH SA (CH) 2021-04-01 US disclosed
US-10876069-B2 Cyclamen odorant FIRMENICH SA (CH) 2020-12-29 US disclosed
EP-3707228-A1 ALDEHYDIC ODORANT Firmenich SA (CH) 2020-09-16 EP disclosed
US-10759824-B2 Design, synthesis and use of synthetic nucleotides comprising charge mass tags QUANTUMDX GROUP LIMITED (GB) 2020-09-01 US disclosed
CN-111587284-A Aldehyde odorant 弗门尼舍有限公司 2020-08-25 CN disclosed
US-20200224119-A1 CYCLAMEN ODORANT FIRMENICH SA (CH) 2020-07-16 US disclosed
CN-1046722-C Heterocyclic compounds and their preparation and use NOVO NORDISK AS (DK) 1999-11-24 CN disclosed
CN-1121349-A Heterocyclic compounds and their preparation and use NOVO NORDISK AS (DK) 1996-04-24 CN disclosed
US-4707182-A Phenoxine-ketal ethers, compositions containing them and the use thereof CIBA-GEIGY CORPORATION (US) 1987-11-17 US disclosed
US-4576628-A PLANT SAFENING AGENTS CIBA-GEIGY CORPORATION (US) 1986-03-18 US disclosed
US-4530716-A Plant safening agent CIBA-GEIGY CORPORATION (US) 1985-07-23 US disclosed
EP-0033259-B1 3-(BUTA-1',3'-DIENYL) SUBSTITUTED DERIVATIVES OF CYCLOPROPANE-1-CARBOXYLIC ACID, COMPOSITIONS AGAINST THE PARASITES OF PLANTS AND WARM-BLOODED ANIMALS, AND PERFUMING COMPOSITIONS CONTAINING THEM; THEIR PREPARATION ROUSSEL-UCLAF (FR) 1984-10-24 EP disclosed
US-4431576-A COSMETICS; TOILETRIES; DETERGENTS; INSECTICIDES; WAXES ROUSSEL UCLAF (FR) 1984-02-14 US disclosed
US-4401673-A INSECTIDICES; NEMATOCIDES; MITICIDES; SKIN DISORDERS ROUSSEL UCLAF (FR) 1983-08-30 US disclosed
US-4255182-A PRE- AND POSTEMERGENCE HERBICIDES VELSICOL CHEMICAL CORPORATION (US) 1981-03-10 US disclosed
US-4088667-A ANTIBACTERIAL AGENTS, PHARMACOLOGICAL INTERMEDIATES MERRELL TORAUDE ET COMPAGNIE (FR) 1978-05-09 US disclosed