SCHEMBL1449044

SCHEMBL1449044

CCC(Br)(CC)C(=O)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
SCHEMBL9128090 0.86
SCHEMBL2286516 0.86
SCHEMBL1036503 0.84 MEN1 (0.35)
SCHEMBL1732567 0.84 MEN1 (0.35)
SCHEMBL1732836 0.84 MEN1 (0.35)
SCHEMBL5945071 0.84
SCHEMBL8796006 0.84
SCHEMBL15823994 0.82 ALDH1A1 (0.35)
SCHEMBL28392031 0.82 MEN1 (0.34)
SCHEMBL29131722 0.82 CYP2D6 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118165639-B Wear-resistant lubricating oil coating material for mechanical bearing and preparation method thereof 西安大力马能源科技有限公司 2024-09-03 CN claimed
CN-118165639-A Wear-resistant lubricating oil coating material for mechanical bearing and preparation method thereof 西安大力马能源科技有限公司 2024-06-11 CN claimed
CN-108795208-B Preparation method of flame-retardant water-based core-shell acrylate resin coating and paint 烟台大学 2020-12-18 CN claimed
EP-0107569-B1 6-AMINO-7-HYDROXY-4,5,6,7-TETRAHYDROIMIDAZO(4,5,1-J,K)(1)BENZAZEPIN-2(1H)-ONE DERIVATIVES, THEIR SALTS, THEIR PREPARATION, THEIR USE AS MEDICAMENTS AND COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1987-03-18 EP claimed
EP-0069018-B1 IODINE LABELLED RADIOACTIVE STILBENE DERIVATIVES, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION, AND THEIR USE IN RADIOIMMUNO ASSAYS ROUSSEL-UCLAF (FR) 1986-02-26 EP claimed
US-4489207-A DIHYDROXYBENZENE, 2-HALOFATTY ESTER OR ACYLOXIME BASF AKTIENGESELLSCHAFT (DE) 1984-12-18 US claimed
EP-4680343-A1 PROTEIN-PROTEIN INTERACTION STABILIZERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2026-01-21 EP disclosed
CN-221965268-U Reaction kettle for synthesizing ethyl 2-bromobutyrate 昌邑市丰润精细化工有限公司 2024-11-08 CN disclosed
WO-2024192415-A1 PROTEIN-PROTEIN INTERACTION STABILIZERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-09-19 WO disclosed
CN-118165639-B Wear-resistant lubricating oil coating material for mechanical bearing and preparation method thereof 西安大力马能源科技有限公司 2024-09-03 CN disclosed
US-12029708-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2024-07-09 US disclosed
CN-118165639-A Wear-resistant lubricating oil coating material for mechanical bearing and preparation method thereof 西安大力马能源科技有限公司 2024-06-11 CN disclosed
CN-117642410-A Ester derivatives of N4-hydroxycytidine and uses thereof 苏州春海生物医药有限公司 2024-03-01 CN disclosed
US-4062968-A MITICIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-12-13 US disclosed
US-4058622-A Substituted phenyl acetate, insecticidal composition and method of use SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-11-15 US disclosed
US-4039680-A SULFUR CONTAINING HETEROCYCLES SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-08-02 US disclosed
US-4031235-A Insecticidal substituted acetate compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-06-21 US disclosed
US-4020005-A Gelled reagent materials LANG JOHN L 1977-04-26 US disclosed
US-3996244-A Insecticidal esters of substituted furan methanol SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-12-07 US disclosed
US-3935203-A ANALGESICS, ANTI-OEDEMATOUS CERPHA (FR) 1976-01-27 US disclosed