SCHEMBL870003

SCHEMBL870003

C=CC=CCC(=O)CC

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
SCHEMBL4729239 0.91 TDP1 (0.38)
SCHEMBL4729241 0.91 TDP1 (0.38)
SCHEMBL13180066 0.91 TDP1 (0.38)
SCHEMBL10363158 0.85 ALDH1A1 (0.32)
SCHEMBL671371 0.82 CES2 (0.35)
SCHEMBL29455077 0.82 CES2 (0.35)
SCHEMBL29927213 0.82 CES2 (0.35)
SCHEMBL30772415 0.79 CES1 (0.39)
SCHEMBL9283100 0.78 TDP1 (0.43)
SCHEMBL8647000 0.77 TDP1 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107072198-A Natural acaricides for acarid, the identification for acarid are marked and preparation method thereof 全北大学校产学协力团 2017-08-18 CN claimed
CN-103320239-B Methylisothiazolinone stabilizing system for liquid detergent GUANGZHOU LIBY ENTPR CO LTD 2014-12-24 CN claimed
EP-2812316-A2 AGENT FOR INHIBITING ODOR OF PYRAZINE DERIVATIVES Kao Corporation (JP) 2014-12-17 EP claimed
WO-2013171535-A2 AGENT FOR INHIBITING ODOR OF PYRAZINE DERIVATIVES KAO CORPORATION (JP) 2013-11-21 WO claimed
CN-103320239-A Methylisothiazolinone stabilizing system for liquid detergent GUANGZHOU LIBY ENTPR CO LTD 2013-09-25 CN claimed
EP-1765937-A1 ENVIRONMENT- FRIENDLY POLLUTION- PROOF AGENT Shin, Hyun Woung (KR) 2007-03-28 EP claimed
WO-2005123850-A1 ENVIRONMENT- FRIENDLY POLLUTION- PROOF AGENT SHIN HYUN WOUNG (KR) 2005-12-29 WO claimed
CN-122094561-A Liquid fertilizer ready-to-use agrochemical formulation 2026-05-26 CN disclosed
CN-118234470-B Perfuming complex of natural origin, perfuming composition and aqueous fragrance composition 伊碧申香料有限公司 2025-03-07 CN disclosed
US-20250064058-A1 Antimicrobial Formulation ANITOX CORPORATION 2025-02-27 US disclosed
CN-119136683-A Degradation resistant aldehyde-containing compositions 祖姆森斯有限公司 2024-12-13 CN disclosed
US-12075777-B2 Antimicrobial formulation ANITOX CORPORATION (US) 2024-09-03 US disclosed
CN-118234470-A Perfuming complex of natural origin, perfuming composition and aqueous fragrance composition 伊碧申香料有限公司 2024-06-21 CN disclosed
EP-0971705-A4 HORMONE REPLACEMENT THERAPY DRUG FORMULATIONS FOR TOPICAL APPLICATION TO THE SKIN MACROCHEM CORP (US) 2001-01-31 EP disclosed
EP-1014942-A1 NON-STEROIDAL ANTIINFLAMMATORY DRUG FORMULATIONS FOR TOPICAL APPLICATION TO THE SKIN MacroChem Corporation (US) 2000-07-05 EP disclosed
WO-2000036933-A1 USE OF N-NEOHEXYL-α-ASPARTYL-L-PHENYLALANINE METHYL ESTER AS A FLAVOR MODIFIER THE NUTRASWEET COMPANY (US) 2000-06-29 WO disclosed
EP-0971705-A1 HORMONE REPLACEMENT THERAPY DRUG FORMULATIONS FOR TOPICAL APPLICATION TO THE SKIN MacroChem Corporation (US) 2000-01-19 EP disclosed
WO-1999046986-A1 AN ANT REPELLENT THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1999-09-23 WO disclosed
WO-1999020257-A1 HORMONE REPLACEMENT THERAPY DRUG FORMULATIONS FOR TOPICAL APPLICATION TO THE SKIN MACROCHEM CORPORATION (US) 1999-04-29 WO disclosed
WO-1999009954-A1 NON-STEROIDAL ANTIINFLAMMATORY DRUG FORMULATIONS FOR TOPICAL APPLICATION TO THE SKIN MACROCHEM CORPORATION (US) 1999-03-04 WO disclosed