SCHEMBL27878

SCHEMBL27878

[C]#CCC(C)C

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
SCHEMBL967247 0.72
SCHEMBL4810468 0.72
SCHEMBL244346 0.72
SCHEMBL9266656 0.72
SCHEMBL22804131 0.69
SCHEMBL387785 0.69
SCHEMBL384477 0.67
SCHEMBL964277 0.67
SCHEMBL386854 0.67
SCHEMBL964669 0.67

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 4710 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4387629-A1 6-SUBSTITUTED- AND 6,7-DISUBSTITUTED-7-DEAZAPURINE RIBONUCLEOSIDE ANALOGUES Katholieke Universiteit Leuven KU Leuven Research & Development (BE) 2024-06-26 EP claimed
US-20240199542-A1 SUBSTITUTED PYRROLIDIN-2-ONES, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2024-06-20 US claimed
EP-4313943-A1 SUBSTITUTED PYRROLIDIN-2-ONES, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2024-02-07 EP claimed
CN-117043140-A Substituted pyrrolidin-2-ones, salts thereof and their use as herbicidal active substances 拜耳公司 2023-11-10 CN claimed
US-20230131260-A1 SUBSTITUTED THIOPHENYL URACILS, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS SYNGENTA CROP PROTECTION AG (CH) 2023-04-27 US claimed
WO-2023021132-A1 6-SUBSTITUTED- AND 6,7-DISUBSTITUTED-7-DEAZAPURINE RIBONUCLEOSIDE ANALOGUES KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-02-23 WO claimed
WO-2022200208-A1 SUBSTITUTED PYRROLIDIN-2-ONES, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2022-09-29 WO claimed
US-11274083-B2 Substituted thiophenyl uracils, salts thereof and the use thereof as herbicidal agents SYNGENTA CROP PROTECTION AG (CH) 2022-03-15 US claimed
EP-3728235-B1 SUBSTITUTED THIOPHENYLURACILS , THEIR SALTS AND USE OF SAID COMPOUNDS AS HERBICIDAL AGENTS SYNGENTA CROP PROTECTION AG (CH) 2022-02-09 EP claimed
EP-3728237-B1 SUBSTITUTED THIOPHENYLURACILS , THEIR SALTS AND USE OF SAID COMPOUNDS AS HERBICIDAL AGENTS SYNGENTA CROP PROTECTION AG (CH) 2022-02-09 EP claimed
WO-2006117609-A2 PHENOXYPROPYLPIPERIDINES AND -PYRROLIDINES AND THEIR USE AS HISTAMINE H3 -RECEPTOR LIGANDS BIOPROJET (FR) 2006-11-09 WO claimed
WO-2006058294-A2 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-06-01 WO claimed
WO-1995019354-A1 3-ARYL ALKENYL-1,2,4-OXADIAZOLE DERIVATIVES AND THEIR USE AS PARASITICIDES FOR ANIMALS BAYER AKTIENGESELLSCHAFT (DE) 1995-07-20 WO claimed
EP-0283876-B1 Substituted triazolinones BAYER AG (DE) 1994-07-20 EP claimed
US-5262389-A Substituted triazolinone herbicides and plant growth regulators BAYER AKTIENGESELLSCHAFT (DE) 1993-11-16 US claimed
EP-0332991-B1 Substituted triazoles BAYER AG (DE) 1993-11-10 EP claimed
EP-0398096-B1 SUBSTITUTED TRIAZOLONES BAYER AG (DE) 1993-10-13 EP claimed
EP-0412358-B1 3-AMINO-5-AMINOCARBONYL-1,2,4-TRIAZOLE DERIVATIVES BAYER AG (DE) 1993-09-29 EP claimed
US-5194084-A Applying herbicides to vegetation BAYER AKTIENGESELLSCHAFT (DE) 1993-03-16 US claimed
EP-0298371-B1 SUBSTITUTED TRIAZOLINONES BAYER AG (DE) 1991-10-02 EP claimed