SCHEMBL232738

SCHEMBL232738

[CH2]c1ccc(CN)cc1

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
SCHEMBL28802684 0.85 ST14 (0.68)
SCHEMBL15828 0.83 HRH3 (0.79)
SCHEMBL7765978 0.81 HRH3 (0.58)
Formaldehyde SCHEMBL28778127 0.80 HRH3 (0.65)
Hydrochloric Acid SCHEMBL3168189 0.79 HRH3 (0.73)
Iodide SCHEMBL29191162 0.79 HRH3 (0.73)
Hydrochloric Acid SCHEMBL3162690 0.79 HRH3 (0.73)
Iodide SCHEMBL28395414 0.79 HRH3 (0.73)
Bromide SCHEMBL29198706 0.79 HRH3 (0.73)
SCHEMBL577825 0.77 TAAR1 (0.56)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230317700-A1 CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME ZYMEWORKS BC INC. (CA) 2023-10-05 US claimed
US-20230265173-A1 SULFONAMIDE-CONTAINING LINKAGE SYSTEMS FOR DRUG CONJUGATES ZYMEWORKS BC INC. (CA) 2023-08-24 US claimed
CN-113912607-B SNAP-tag probe and preparation method and application thereof 中山大学肿瘤防治中心(中山大学附属肿瘤医院、中山大学肿瘤研究所) 2022-12-13 CN claimed
EP-4029873-A1 CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME Zymeworks Inc. (CA) 2022-07-20 EP claimed
EP-3086815-B1 SULFONAMIDE-CONTAINING LINKAGE SYSTEMS FOR DRUG CONJUGATES ZYMEWORKS INC (CA) 2022-02-09 EP claimed
EP-3194421-B1 CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME ZYMEWORKS INC (CA) 2021-11-03 EP claimed
WO-2021034729-A1 N-ARYL SULFONAMIDE DERIVATIVES AS VACCINE ADJUVANT THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-02-25 WO claimed
US-10675355-B2 VAR2CSA-drug conjugates VAR2 PHARMACEUTICALS APS (DK) 2020-06-09 US claimed
US-20190345254-A1 CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME ZYMEWORKS INC (CA) 2019-11-14 US claimed
CN-110392680-A Substituted azolyl pyrrolidones and azolyl hydantoins and salts thereof and their use as herbicidal active substances 拜耳作物科学股份公司 2019-10-29 CN claimed
US-4342757-A Cephalosporin antibiotic compositions MERCK & CO., INC. (US) 1982-08-03 US claimed
US-4338437-A Cephalosporin antibiotics MERCK & CO., INC. (US) 1982-07-06 US claimed
US-4338438-A Cephalosporin antibiotics MERCK & CO., INC. (US) 1982-07-06 US claimed
EP-0048159-A2 Novel carboxyalkyl peptides and thioethers and ethers of peptides as antihypertensive agents UNIVERSITY OF MIAMI (US) 1982-03-24 EP 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-4298741-A DETHIAPENICILLIN ANTIBIOTICS MERCK & CO., INC. (US) 1981-11-03 US claimed
US-4297488-A 7-α-Methoxy cephalosporins MERCK & CO., INC. (US) 1981-10-27 US claimed
EP-0031104-A1 Thiazolidine compounds, processes for their preparation and pharmaceutical compositions containing them SANTEN PHARMACEUTICAL CO., LTD. (JP) 1981-07-01 EP claimed
US-4258040-A Cephalosporin compounds MERCK & CO., INC. (US) 1981-03-24 US claimed
US-4060687-A Cephalosporins having a 3-α substituted alkyl grouping MERCK & CO., INC. (US) 1977-11-29 US claimed