SCHEMBL81368

SCHEMBL81368

C[CH]C(=O)OCC

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
SCHEMBL4673333 0.83 GAA (0.48)
Diethyl Maleate SCHEMBL8935021 0.80 HCAR2 (0.73)
SCHEMBL5597660 0.80
SCHEMBL4677372 0.79
Diethyl Maleate SCHEMBL43033 0.79 HCAR2 (0.80)
Diethyl Maleate SCHEMBL2015895 0.79 HCAR2 (0.80)
Diethyl Maleate SCHEMBL42602 0.79 HCAR2 (0.80)
Diethyl Maleate SCHEMBL2015896 0.79 HCAR2 (0.80)
Diethyl Maleate SCHEMBL60423 0.79 HCAR2 (0.80)
SCHEMBL167265 0.79 HCAR2 (0.56)

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

Appears in 5315 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4399212-A1 SUBSTITUTED 2,3-DIHYDRO[1,3]THIAZOLO[4,5-B]PYRIDINES, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2024-07-17 EP claimed
CN-118159542-A Substituted 2, 3-dihydro [1,3] thiazolo [4,5-b ] pyridines, salts thereof and their use as herbicidal agents 拜耳公司 2024-06-07 CN claimed
EP-4373825-A1 NITRILE SUMO INHIBITORS AND USES THEREOF Suvalent Therapeutics, Inc. (US) 2024-05-29 EP claimed
CN-116253721-B N- (4-indolyl) -N' -alkyl imidazole salt and application thereof 昆明理工大学 2024-05-14 CN claimed
EP-4273147-A1 SUBSTITUTED SPIROLACTAMS, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2023-11-08 EP claimed
CN-116253721-A N- (4-indolyl) -N' -alkyl imidazole salt and application thereof 昆明理工大学 2023-06-13 CN claimed
WO-2023055427-A1 SMALL MOLECULE ANTAGONISTS OF PF4 NEW YORK BLOOD CENTER, INC. (US) 2023-04-06 WO claimed
WO-2023036707-A1 SUBSTITUTED 2,3-DIHYDRO[1,3]THIAZOLO[4,5-B]PYRIDINES, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2023-03-16 WO claimed
WO-2023004376-A1 NITRILE SUMO INHIBITORS AND USES THEREOF Suvalent Therapeutics, Inc. (US) 2023-01-26 WO claimed
EP-3606913-B1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2022-04-27 EP claimed
US-4267319-A CATIONIC DYES AND N-HETEROCYCLIC CATIONIC POLYMERS; PRINTING PAPER; ORANGE OR RED BASF AKTIENGESELLSCHAFT (DE) 1981-05-12 US claimed
US-4264765-A ANTIBIOTICS ABBOTT LABORATORIES (US) 1981-04-28 US claimed
US-4263288-A Acaricidal, insecticidal, and nematocidal phosphoramidothioates ROHM AND HAAS COMPANY (US) 1981-04-21 US claimed
US-4159379-A Dispersion dyestuffs of the naphtholactam series CIBA-GEIGY AG (CH) 1979-06-26 US claimed
US-4123607-A BACTERICIDES AMERICAN CYANAMID COMPANY (US) 1978-10-31 US claimed
US-4053469-A BACTERICIDES SHIONOGI & CO., LTD. (JA) 1977-10-11 US claimed
US-4033973-A YELLOW DYES CIBA-GEIGY CORPORATION (US) 1977-07-05 US claimed
US-4007188-A DISPERSE DYES SANDOZ LTD. (CH) 1977-02-08 US claimed
US-3970675-A ANTHRONE-AMIDINE CIBA-GEIGY CORPORATION (US) 1976-07-20 US claimed
US-3936463-A ANALGESIC BAYER AKTIENGESELLSCHAFT (DT) 1976-02-03 US claimed