SCHEMBL127111

SCHEMBL127111

[CH2]CC(=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
SCHEMBL29192691 0.84
SCHEMBL8061372 0.84 TDP1 (0.50)
SCHEMBL7769145 0.82 TDP1 (0.47)
SCHEMBL7788651 0.82 TDP1 (0.47)
SCHEMBL27570895 0.80 TDP1 (0.45)
Ethylene SCHEMBL27278735 0.77
Formaldehyde SCHEMBL3293514 0.77
SCHEMBL42679 0.76
SCHEMBL2357325 0.76 TDP1 (1.00)
SCHEMBL493694 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 1402 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240180932-A1 SUBSTITUTED RESORCYLIC ACID COMPOUNDS IN THE MANAGEMENT OF AGEING AND RELATED DISORDERS NESTLE SA (CH) 2024-06-06 US claimed
EP-4313017-A1 SUBSTITUTED RESORCYLIC ACID COMPOUNDS IN THE MANAGEMENT OF AGEING AND RELATED DISORDERS Société des Produits Nestlé S.A. (CH) 2024-02-07 EP claimed
US-20240010589-A1 SUBSTITUTED RESORCINOL COMPOUNDS AS AMPK ACTIVATORS, COMPOSITIONS, METHODS AND USES THEREOF NESTLE SA (CH) 2024-01-11 US claimed
US-20230414638-A1 SUBSTITUTED RESORCYLIC ACID COMPOUNDS AS AMPK ACTIVATOR AND USES THEREOF NESTLE SA (CH) 2023-12-28 US claimed
WO-2023213715-A1 AMPK ACTIVATOR (CBDA) AND SGLT2 INHIBITOR FOR METABOLIC HEALTH Société des Produits Nestlé S.A. (CH) 2023-11-09 WO claimed
CN-116981452-A Substituted resorcinol compounds for the management of aging and related disorders 雀巢产品有限公司 2023-10-31 CN claimed
EP-4247359-A1 SUBSTITUTED RESORCINOL COMPOUNDS AS AMPK ACTIVATORS, COMPOSITIONS, METHODS AND USES THEREOF Société des Produits Nestlé S.A. (CH) 2023-09-27 EP claimed
WO-2023178211-A1 MICROORGANISMS AND METHODS FOR PRODUCTION OF FATTY ACID DERIVATIVES WITH REDUCED LEVELS OF BYPRODUCTS GENOMATICA, INC. (US) 2023-09-21 WO claimed
CN-116761791-A Substituted resorcinol compounds as AMPK activators and uses thereof 雀巢产品有限公司 2023-09-15 CN claimed
EP-4240342-A1 SUBSTITUTED RESORCYLIC ACID COMPOUNDS AS AMPK ACTIVATOR AND USES THEREOF Société des Produits Nestlé S.A. (CH) 2023-09-13 EP claimed
EP-0217804-A1 ANALOGS OF SUBSTANCES P. ENICHEM SPA (IT) 1987-04-15 EP claimed
US-4638046-A Retro-inverso C-terminal hexapeptide analogues of substance P ENI-ENTE NAZIONALE IDROCARBURI (IT) 1987-01-20 US claimed
US-4617401-A ANTISPASMODIC AGENTS, VASODILATORS SUNTORY LTD. (JP) 1986-10-14 US claimed
WO-1986003495-A2 DERIVATIVES OF SUBSTANCES P AND OF FRAGMENTS THEREOF ENICHEM S.P.A. (IT) 1986-06-19 WO claimed
EP-0039903-B1 8-SUBSTITUTED PYRROLIZIDINES AND QUATERNARY AMMONIUM SALTS THEREOF SUNTORY KABUSHIKI KAISHA (JP) 1986-04-09 EP claimed
EP-0161007-A2 Retro - inverso C-Terminal hexapeptide analogues of substance P ENI-Ente Nazionale Idrocarburi (IT) 1985-11-13 EP claimed
EP-0082568-B1 RETRO-INVERSO ANALOGUES OF C-TERMINAL PENTA AND HEXAPEPTIDES OF SUBSTANCE P. ANIC S.p.A. (IT) 1984-11-21 EP claimed
US-4439360-A Retro-inverso analogues of C-terminal penta and hexapeptides of Substance P ANIC S.P.A. (IT) 1984-03-27 US claimed
EP-0082568-A2 Retro-inverso analogues of C-terminal penta and hexapeptides of substance P. ANIC S.p.A. (IT) 1983-06-29 EP claimed
EP-0039903-A2 8-Substituted pyrrolizidines and quaternary ammonium salts thereof SUNTORY KABUSHIKI KAISHA (JP) 1981-11-18 EP claimed