SCHEMBL4454

SCHEMBL4454

CNc1ccccc1

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
Benzene SCHEMBL17977991 1.00 TSHR (1.00)
SCHEMBL19298582 1.00 TSHR (1.00)
SCHEMBL3008675 1.00
SCHEMBL4675612 0.97
Iodide SCHEMBL22092509 0.97
Ammonia Solution, Strong SCHEMBL7932140 0.97
Phosphine SCHEMBL11220255 0.97 TSHR (0.93)
Bromide SCHEMBL9803500 0.97
SCHEMBL11220257 0.97 TSHR (0.93)
Hydrochloric Acid SCHEMBL2637990 0.97

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

Appears in 49154 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119613216-B Toluene purification treatment method and application thereof Wanhua Chemical Group (Fujian) Isocyanate Co.,Ltd. (CN) 2026-05-26 CN claimed
CN-122080900-A Mannich base quaternary ammonium salt corrosion inhibitor for ultrahigh-temperature well acidification and preparation method thereof 2026-05-26 CN claimed
CN-122095027-A Modified maleated natural oil-based reaction products and slurry compositions containing the same 2026-05-26 CN claimed
CN-117361734-B Process and equipment for removing methylaniline and indole in coking nanofiltration concentrated water, catalyst and preparation method thereof 宝山钢铁股份有限公司 2026-05-19 CN claimed
CN-118005569-B 6-Aminoquinoxaline compound and preparation method and application thereof 华南理工大学 2026-05-19 CN claimed
CN-122036522-A Multi-tower rectifying method and multi-tower rectifying system 苏尔寿化工(上海)有限公司 2026-05-15 CN claimed
CN-122055416-A Dispersants for carbon nanotubes and carbon nanotube compositions comprising hydrophobically and hydrophilically modified maleated natural oil salts 埃斯普投资有限公司 2026-05-15 CN claimed
CN-122008382-A Multi-scale inorganic structure and printing manufacturing method thereof 大连理工大学 2026-05-12 CN claimed
US-12617819-B2 Intermediate used for biologically active polypeptide and method for preparing same HANMI FINE CHEMICAL CO., LTD. (KR) 2026-05-05 US claimed
US-20260120966-A1 METHODS OF FABRICATION OF ENVIRONMENTALLY FRIENDLY SUPERTCAPACITOR AND PERFORMANCE FOR REAL WORLD APPLICATIONS RAM MANOJ KUMAR (US) 2026-04-30 US claimed
US-3993646-A Process for the ring expansion of penicillins to cephalosporin compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-11-23 US claimed
US-3973981-A PHTHALOCYANINE DYES, PAINTS, INKS TOYO INK MANUFACTURING CO., LTD. (JA) 1976-08-10 US claimed
US-3960857-A Urea additives for sulfur vulcanizable polymers THE GOODYEAR TIRE & RUBBER COMPANY (US) 1976-06-01 US claimed
US-3954729-A FROM A SECONDARY AMINE, CARBONYL SULFIDE, AND AN ALKYL HALIDE IHARA CHEMICAL INDUSTRY CO., LTD. (JA) 1976-05-04 US claimed
US-3947405-A Process for making neohesperidine dihydrochalcone GIVAUDAN CORPORATION (US) 1976-03-30 US claimed
US-3947395-A Epoxy surface coating compositions HITACHI, LTD. (JA) 1976-03-30 US claimed
US-3933717-A Water soluble linear macroamine polymers and method of producing them B. R. CHEMICAL CO., LTD. (JA) 1976-01-20 US claimed
US-3932565-A USED TO MAKE FLAME-RETARDANT POLYURETHANES UNIROYAL INC. (US) 1976-01-13 US claimed
US-3932528-A STABILIZATION WITH A NITROGEN BASE SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-01-13 US claimed
US-3931320-A FROM AN AROMATIC PRIMARY OR SECONDARY AMINE, FORMALDEHYDE, ACID CATALYST BAYER AKTIENGESELLSCHAFT (DT) 1976-01-06 US claimed