SCHEMBL9918669

SCHEMBL9918669

CCOC(=O)C(Br)C#N

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
SCHEMBL11307409 0.83 ALDH1A1 (0.38)
SCHEMBL27831383 0.77
SCHEMBL11445122 0.76 ALDH1A1 (0.45)
SCHEMBL2186330 0.76
SCHEMBL9705616 0.76 MEN1 (0.45)
SCHEMBL10535054 0.76 SMN1; SMN2 (0.45)
SCHEMBL11383101 0.75 MAPT (0.40)
SCHEMBL163958 0.74
Ethane SCHEMBL20528153 0.74 MEN1 (0.44)
SCHEMBL7711580 0.74 ALDH1A1 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119930466-A Preparation method of octocrylene as main component of sun-screening agent 合肥诺信生物技术有限公司 2025-05-06 CN claimed
CN-119930466-A Preparation method of octocrylene as main component of sun-screening agent 合肥诺信生物技术有限公司 2025-05-06 CN disclosed
CN-119490501-A Imidazole bicyclic compounds, preparation method and application thereof 合肥医工医药股份有限公司 2025-02-21 CN disclosed
US-9156921-B2 Organocatalyzed photoredox mediated polymerization using visible light CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-10-13 US disclosed
CN-103396314-B Synthesis method of fullerene cyclopropane derivative UNIV SW SCI & TECH SWUST 2015-07-08 CN disclosed
CN-103396314-A Synthesis method of fullerene cyclopropane derivative UNIV SW SCI & TECH SWUST 2013-11-20 CN disclosed
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-4559342-A Quinolone acids and antibacterial agents containing these compounds BAYER AKTIENGESELLSCHAFT (DE) 1985-12-17 US disclosed
EP-0010856-B1 HALOGENATED HYDROCARBONS AND A METHOD FOR THEIR PREPARATION IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-10-27 EP disclosed
US-4309428-A Maytansinoids TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1982-01-05 US disclosed
EP-0007154-B1 PROCESS FOR THE PREPARATION OF CYCLOPROPANE DERIVATIVES, INTERMEDIATES IN THE SYNTHESIS OF PYRETHROID INSECTICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-12-30 EP disclosed
US-4284582-A REACTING A HALOGENATED DIENE WITH A CYANIDE COMPOUND IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-08-18 US disclosed
US-4259263-A Halogenated hydrocarbons and a method for their preparation IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-03-31 US disclosed
EP-0010856-A1 Halogenated hydrocarbons and a method for their preparation IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1980-05-14 EP disclosed
EP-0007154-A1 Process for the preparation of cyclopropane derivatives, intermediates in the synthesis of pyrethroid insecticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1980-01-23 EP disclosed