SCHEMBL712008

SCHEMBL712008

CCC=C(C)CO

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
SCHEMBL15078582 1.00
SCHEMBL1204660 1.00
SCHEMBL7164703 0.84 TRPA1 (0.35)
SCHEMBL12377586 0.84 KMT2A (0.52)
SCHEMBL12037687 0.84 KMT2A (0.52)
SCHEMBL7164704 0.84 TRPA1 (0.35)
SCHEMBL1300742 0.77 BTN3A1 (0.32)
SCHEMBL1300744 0.77 BTN3A1 (0.32)
SCHEMBL3838092 0.76
SCHEMBL109760 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12568998-B2 Flavouring composition with balanced taste profile SYMRISE AG (DE) 2026-03-10 US claimed
EP-4444108-B1 ALDEHYDE MIXTURES FOR FLAVOUR IMPROVEMENT SYMRISE AG (DE) 2025-09-10 EP claimed
US-20250040580-A1 ALDEHYDE MIXTURES FOR FLAVOUR IMPROVEMENT SYMRISE AG (DE) 2025-02-06 US claimed
EP-4444108-A1 ALDEHYDE MIXTURES FOR FLAVOUR IMPROVEMENT Symrise AG (DE) 2024-10-16 EP claimed
US-20240245085-A1 FLAVORING COMPOSITIONS FOR TASTE IMPROVEMENT SYMRISE AG (DE) 2024-07-25 US claimed
US-20240148039-A1 FLAVOURING COMPOSITION WITH BALANCED TASTE PROFILE SYMRISE AG (DE) 2024-05-09 US claimed
EP-4161293-B1 FLAVOURING COMPOSITION WITH BALANCED TASTE PROFILE SYMRISE AG (DE) 2024-01-31 EP claimed
EP-4161291-B1 FLAVORING COMPOSITIONS FOR TASTE IMPROVEMENT SYMRISE AG (DE) 2023-11-01 EP claimed
WO-2023104293-A1 ALDEHYDE MIXTURES FOR FLAVOUR IMPROVEMENT SYMRISE AG (DE) 2023-06-15 WO claimed
EP-4161293-A1 FLAVOURING COMPOSITION WITH BALANCED TASTE PROFILE Symrise AG (DE) 2023-04-12 EP claimed
CN-102177164-A Method for producing dialkylphosphinic acids and esters and salts thereof by means of allyl alcohols/acroleins and use thereof CLARIANT FINANCE BVI LTD 2011-09-07 CN claimed
US-20110201732-A1 Method for Producing Dialkylphosphinic Acids and Esters and Salts Thereof by Means of Allyl Alcohols-Acroleins and use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-08-18 US claimed
US-20110201733-A1 Method for Producing Mono-Hydroxyfunctionalized Dialkylphosphinic Acids and Esters and Salts Thereof By Means of Allyl Alcohols and Use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-08-18 US claimed
EP-2352735-A1 METHOD FOR PRODUCING MONO-HYDROXYFUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF ALLYL ALCOHOLS AND USE THEREOF Clariant International Ltd. (CH) 2011-08-10 EP claimed
EP-2346885-A1 METHOD FOR PRODUCING DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF ALLYL ALCOHOLS/ACROLEINS AND USE THEREOF Clariant International Ltd. (CH) 2011-07-27 EP claimed
CN-101811948-A Method for synthesizing pentanone-2 through Bayer-Vlieger oxidation reaction WUTONG AROMA CHEMICALS CO LTD 2010-08-25 CN claimed
WO-2010051884-A1 METHOD FOR PRODUCING MONO-HYDROXYFUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF ALLYL ALCOHOLS AND USE THEREOF CLARIANT INTERNATIONAL LTD (CH) 2010-05-14 WO claimed
WO-2010051883-A1 METHOD FOR PRODUCING DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF ALLYL ALCOHOLS/ACROLEINS AND USE THEREOF CLARIANT INTERNATIONAL LTD (CH) 2010-05-14 WO claimed
US-20030055297-A1 An alkyl, cycloalkyl, arylalkyl dihydroxy compound useful as intermediates; a cost-effective preparation ABBOTT LABORATORIES 2003-03-20 US claimed
WO-2002081441-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED PYRROLIDINE NEURAMINIDASE INHIBITORS ABBOTT LABORATORIES (US) 2002-10-17 WO claimed