Butyrolactone

Butyrolactone

SCHEMBL932283

Br.O=C1CCCO1

nearest known ligand 0.00

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4

The experimentally established mechanism targets of Butyrolactone. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

⚠ 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
Butyrolactone SCHEMBL1271043 0.97 CA1 (0.82)
Butyrolactone SCHEMBL29433925 0.97
SCHEMBL19638361 0.97 CA1 (0.82)
Butyrolactone SCHEMBL13481 0.97
Butyrolactone SCHEMBL27720055 0.97 CA1 (0.82)
Butyrolactone SCHEMBL9421121 0.97
Butyrolactone SCHEMBL15020456 0.94
Butyrolactone SCHEMBL5387579 0.94
Butyrolactone SCHEMBL31403367 0.94
Butyrolactone SCHEMBL8194800 0.94

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107973733-B Method for preparing selenomethionine 四川新一美生物科技有限公司 2020-04-17 CN claimed
CN-116829532-A Substituted cyclohexane carboxamides, their preparation and their therapeutic use 赛诺菲 2023-09-29 CN disclosed
CN-108630979-B Secondary battery based on calcium ions and preparation method thereof 深圳先进技术研究院 2021-06-15 CN disclosed
CN-108470908-B Secondary battery and preparation method thereof 深圳先进技术研究院 2021-02-09 CN disclosed
CN-107221443-B Sodium ion hybrid super capacitor and preparation method thereof 深圳中科瑞能实业有限公司 2020-02-11 CN disclosed
US-20130022628-A1 ACYL PSEUDOPEPTIDES WHICH CARRY A FUNCTIONALIZED AUXILIARY ARM OM PHARMA (CH) 2013-01-24 US disclosed
EP-2448930-A1 COVALENT INHIBITION OF BACTERIAL QUORUM SENSING The National Institute for Biotechnology in the Negev Ltd. (IL) 2012-05-09 EP disclosed
WO-2011001419-A1 COVALENT INHIBITION OF BACTERIAL QUORUM SENSING NATIONAL INSTITUTE FOR BIOTECHNOLOGY IN THE NEGEV (IL) 2011-01-06 WO disclosed
WO-2008060998-A1 INDOLE SULFONAMIDES AS SFRP-1 MODULATORS WYETH (US) 2008-05-22 WO disclosed
WO-1999058526-A1 NOVEL 2,5-PYRIDINEDICARBOXYLIC ACID DERIVATIVES DONG WHA PHARM. IND. CO., LTD. (KR) 1999-11-18 WO disclosed
EP-0876392-A1 LACTONE DERIVATIVES OF 17.BETA.-CARBOXY, CARBOTHIO AND AMIDE ANDROSTANE DERIVATIVES GLAXO GROUP LIMITED (GB) 1998-11-11 EP disclosed
WO-1997024365-A1 LACTONE DERIVATIVES OF 17.BETA.-CARBOXY, CARBOTHIO AND AMIDE ANDROSTANE DERIVATIVES GLAXO GROUP LIMITED (GB) 1997-07-10 WO disclosed