SCHEMBL539353

SCHEMBL539353

CCC(Br)C(C)=O

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
SCHEMBL26450921 1.00
SCHEMBL23775550 1.00
Acetic Acid SCHEMBL28573656 0.94 LCK (0.39)
SCHEMBL13991691 0.78 LCK (0.37)
SCHEMBL6761845 0.78 TRPA1 (0.37)
SCHEMBL8190152 0.77
SCHEMBL2944928 0.77
SCHEMBL647006 0.75
SCHEMBL7475439 0.75
SCHEMBL1730691 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117946306-B Diketoxime resin, preparation method thereof and nickel removal method of lithium battery recovery liquid 江苏海普功能材料有限公司 2024-06-07 CN claimed
CN-117946306-A Diketoxime resin, preparation method thereof and nickel removal method of lithium battery recovery liquid 江苏海普功能材料有限公司 2024-04-30 CN claimed
CN-118930487-A 1,3, 5-Trisubstituted pyrazole compound and preparation method thereof 赣南师范大学 2024-11-12 CN disclosed
CN-117946306-B Diketoxime resin, preparation method thereof and nickel removal method of lithium battery recovery liquid 江苏海普功能材料有限公司 2024-06-07 CN disclosed
CN-111183136-B Amber odorant 弗门尼舍有限公司 2024-05-28 CN disclosed
CN-117946306-A Diketoxime resin, preparation method thereof and nickel removal method of lithium battery recovery liquid 江苏海普功能材料有限公司 2024-04-30 CN disclosed
WO-2023141262-A1 BAX ACTIVATORS AND USE THEREOF IPSEN PHARMA S.A.S. (FR) 2023-07-27 WO disclosed
US-20230137023-A1 PROCESS FOR PREPARING S-BEFLUBUTAMID BY RESOLVING 2-BROMOBUTANOIC ACID CHEMINOVA A/S (DK) 2023-05-04 US disclosed
EP-3397629-B1 METALLOENZYME INHIBITOR COMPOUNDS NQP 1598 LTD (KY) 2023-04-19 EP disclosed
EP-3397629-B1 METALLOENZYME INHIBITOR COMPOUNDS NQP 1598 LTD (KY) 2023-04-19 EP disclosed
US-20220348577-A1 CXCR4 Receptor Antagonists PROXIMAGEN LLC (US) 2022-11-03 US disclosed
US-6153770-A ORGANOLEPTIC COMPOUNDS FOR FOOD AROMAS HAARMANN & REIMER (DE) 2000-11-28 US disclosed
EP-0929506-A1 PROCESS FOR PREPARING STILBENE DIOLS THE DOW CHEMICAL COMPANY (US) 1999-07-21 EP disclosed
WO-1998011043-A1 PROCESS FOR PREPARING STILBENE DIOLS THE DOW CHEMICAL COMPANY (US) 1998-03-19 WO disclosed
EP-0811618-A1 Furfurylthioalkanes, process for their preparation and use thereof HAARMANN & REIMER GMBH (DE) 1997-12-10 EP disclosed
US-5011992-A Antiemetics BRISTOL-MYERS SQUIBB COMPANY (US) 1991-04-30 US disclosed
US-4820715-A TREATING NAUSEA AND GASTRIC DISORDERS BRISTOL-MYERS COMPANY (US) 1989-04-11 US disclosed
US-4808624-A ANTIEMETICS BRISTOL-MYERS COMPANY (US) 1989-02-28 US disclosed
US-4240983-A HALOGENATION BAYER AKTIENGESELLSCHAFT (DE) 1980-12-23 US disclosed
US-4137320-A Pharmaceutical compositions containing imidazo(2,1-b)thiazoles and process for reducing blood sugar levels therewith PLANTEX, LTD. (IL) 1979-01-30 US disclosed