SCHEMBL40588

SCHEMBL40588

[CH2]c1ccc(C)cc1C

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
SCHEMBL19512371 0.97 TDP1 (0.46)
SCHEMBL6746274 0.79 TDP1 (0.41)
SCHEMBL394363 0.77
SCHEMBL27592741 0.74 TDP1 (0.46)
Ethylene SCHEMBL25437124 0.73 TDP1 (0.50)
SCHEMBL3230151 0.72 CYP2A6 (0.35)
SCHEMBL8641964 0.72
SCHEMBL1004035 0.72
SCHEMBL9751822 0.72
SCHEMBL7523010 0.72

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 2290 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11897789-B2 Polymer/carbon nanotube composite and methods for wastewater treatment KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2024-02-13 US claimed
WO-2024010870-A2 CRYSTALLINE MONOMERS FOR PREPARING ANTISENSE OLIGONUCLEOTIDES AND METHODS OF THEIR PREPARATION AND USE EISAI R&D MANAGEMENT CO., LTD. (JP) 2024-01-11 WO claimed
WO-2023247999-A1 PEPTIDIC PAIN MODULATORS AND METHODS FOR PRODUCING AND USING THE SAME MAINLINE BIOSCIENCES (SHANGHAI) CO., LTD. (CN) 2023-12-28 WO claimed
EP-4273147-A1 SUBSTITUTED SPIROLACTAMS, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2023-11-08 EP claimed
EP-3688124-B1 ESTER COMPOUNDS, LUBRICATING OIL COMPOSITIONS CONTAINING SAME AND PROCESSES FOR MAKING SAME EXXONMOBIL CHEMICAL PATENTS INC (US) 2023-10-25 EP claimed
CN-116640106-A Phenylpiperazine compound and preparation method and application thereof 郑州大学 2023-08-25 CN claimed
CN-112694473-A 7, 9-disubstituted berberine derivative and preparation method and application thereof 南京林业大学 2021-04-23 CN claimed
CN-109762019-B Alkynyl phosphonic acid bis-benzyl tin complex with anti-tumor activity 成都欣科医药有限公司 2021-03-16 CN claimed
CN-112469711-A Synthesis method of quinoline derivative 正大天晴药业集团股份有限公司 2021-03-09 CN claimed
EP-3688124-A1 ESTER COMPOUNDS, LUBRICATING OIL COMPOSITIONS CONTAINING SAME AND PROCESSES FOR MAKING SAME ExxonMobil Chemical Patents Inc. (US) 2020-08-05 EP claimed
EP-0172031-A1 Novel sulfenylated acylhydrazones, compositions containing them, methods of making them and their use ROHM AND HAAS COMPANY (US) 1986-02-19 EP claimed
US-4332815-A Insecticidal perhaloalkylvinylcyclopropanecarboxylates FMC CORPORATION (US) 1982-06-01 US claimed
US-4310459-A Process for producing carbamoyl substituted penams and carbamoyl substituted cephams from penicillin sulfoxide esters BRISTOL-MYERS COMPANY (US) 1982-01-12 US claimed
US-4183942-A Insecticidal (β-phenyl-β-substituted-vinyl)cyclopropanecarboxylates FMC CORPORATION (US) 1980-01-15 US claimed
US-4162278-A Flame retardant polyphenylene ether resin compositions containing a pentaerythrityl phosphonate AMERICAN CYANAMID COMPANY (US) 1979-07-24 US claimed
US-4160842-A Insecticidal [β-(substituted-phenyl)vinyl]cyclopropanecarboxylates FMC CORPORATION (US) 1979-07-10 US claimed
US-4157397-A RESISTANT TO PHOTOOXIDATIVE DEGRADATION FMC CORPORATION (US) 1979-06-05 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-3979390-A Butyrophenone derivatives and production thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-09-07 US claimed
US-3950538-A Anti-inflammatory methods utilizing certain thioureas THE DOW CHEMICAL COMPANY (US) 1976-04-13 US claimed