SCHEMBL95291

SCHEMBL95291

O=[C]c1ccccc1Br

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
SCHEMBL94460 0.79 GAA (0.33)
SCHEMBL8384 0.78 TSHR (0.35)
SCHEMBL9242790 0.77
SCHEMBL2466535 0.77 FFAR1 (0.47)
SCHEMBL30468202 0.77 FFAR1 (0.47)
SCHEMBL10595226 0.77 ALDH1A1 (0.41)
SCHEMBL11380040 0.75 FABP4 (0.42)
SCHEMBL2048825 0.75 CYP3A4 (0.40)
SCHEMBL8098752 0.75 JAK2 (0.31)
SCHEMBL7048027 0.74

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 1229 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2024094607-A1 ISOTOPE LABELED AND NON-LABELED GENTAMICIN C CONGENERS ROCHE DIAGNOSTICS GMBH (DE) 2024-05-10 WO claimed
CN-116063666-B Multifunctional polyester material and preparation method and application thereof 四川大学 2024-04-19 CN claimed
US-20240033318-A1 PEPTIDYL INHIBITORS OF CALCINEURIN-NFAT INTERACTION OHIO STATE INNOVATION FOUNDATION 2024-02-01 US claimed
EP-3634970-B1 NOVEL PROCESS FOR PREPARATION OF EMPAGLIFLOZIN OR ITS CO-CRYSTALS, SOLVATES AND THEIR POLYMORPHS THEREOF LAURUS LABS LTD (IN) 2023-07-19 EP claimed
CN-116063666-A Multifunctional polyester material and preparation method and application thereof 四川大学 2023-05-05 CN claimed
CN-115819228-A Synthetic method of 2-aryl-2-cyclohexanedione enol ester compound 南方医科大学 2023-03-21 CN claimed
US-11576946-B2 Peptidyl inhibitors of calcineurin-NFAT interaction OHIO STATE INNOVATION FOUNDATION (US) 2023-02-14 US claimed
EP-4099991-A1 NOVEL PROCESSES FOR PREPARATION OF TEZACAFTOR Laurus Labs Limited (IN) 2022-12-14 EP claimed
CN-114716587-A Olefin polymerization solid catalyst component containing phenylacetate compounds, and preparation method and application thereof 中国科学院化学研究所 2022-07-08 CN claimed
WO-1994006017-A1 PEPTIDE SEQUENCING USING MASS SPECTROMETRY SELECTIDE CORPORATION (US) 1994-03-17 WO claimed
EP-0515509-A1 NOVEL ANTIVIRAL AND ANTITUMOR TERPENE HYDROQUINONES AND METHODS OF USE HARBOR BRANCH OCEANOGRAPHIC INSTITUTION, INC. (US) 1992-12-02 EP claimed
US-5049551-A Antitumor UBE INDUSTRIES, LTD. (JP) 1991-09-17 US claimed
WO-1991012250-A1 NOVEL ANTIVIRAL AND ANTITUMOR TERPENE HYDROQUINONES AND METHODS OF USE HARBOR BRANCH OCEANOGRAPHIC INSTITUTION, INC. (US) 1991-08-22 WO claimed
EP-0400610-A1 5-Fluorouracil derivatives UBE INDUSTRIES, LTD. (JP) 1990-12-05 EP claimed
US-4912231-A Reacting a proline derivative with an aromatic nucleophile in presence of a Lewis acid catalyst E. R. SQUIBB & SONS, INC. (US) 1990-03-27 US claimed
US-4868204-A ANTITUMOR, VIRICIDES HARBOR BRANCH OCEANOGRAPHIC INSTITUTION, INC. (US) 1989-09-19 US claimed
US-4280008-A CHEMICAL INTERMEDIATES FOR OPTICALLY ACTIVE AMINO ACIDS BASF AKTIENGESELLSCHAFT (DE) 1981-07-21 US claimed
US-4192868-A ANTIINFLAMMATORY, ANALGESIC CIBA-GEIGY CORPORATION (US) 1980-03-11 US claimed
US-3930793-A CONTINUOUS, DISAZO DYES HOECHST AKTIENGESELLSCHAFT (DT) 1976-01-06 US claimed