SCHEMBL1845097

SCHEMBL1845097

C1CCC(OOC2CCCCS2)SC1

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
SCHEMBL1587660 0.97
SCHEMBL5648243 0.91 NOS2 (0.33)
SCHEMBL4609280 0.85
SCHEMBL78369 0.82
SCHEMBL10723117 0.78
SCHEMBL12678305 0.78
SCHEMBL3590968 0.74
SCHEMBL79191 0.73 NOS2 (0.33)
SCHEMBL17245049 0.72
SCHEMBL8461226 0.72 EPHX1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114174279-B Bicyclic heterocyclic compounds useful as IRAK4 inhibitors 百时美施贵宝公司 2024-07-02 CN claimed
CN-111819176-B 4-azaindole compounds 百时美施贵宝公司 2023-12-15 CN claimed
US-20230286973-A1 PROTEIN SECRETION INHIBITORS ENODIA THERAPEUTICS SAS (FR) 2023-09-14 US claimed
EP-4204417-A1 PROTEIN SECRETION INHIBITORS Kezar Life Sciences (US) 2023-07-05 EP claimed
CN-116194455-A Protein secretion inhibitor 科智生命科学公司 2023-05-30 CN claimed
CN-115536660-A Benzylamino-substituted heteropolycyclic compounds, compositions, formulations and uses thereof 北京福元医药股份有限公司 2022-12-30 CN claimed
CN-114761404-A Substituted bicyclic heteroaryl compounds 百时美施贵宝公司 2022-07-15 CN claimed
CN-114174279-A Bicyclic heterocyclic compounds useful as IRAK4 inhibitors 百时美施贵宝公司 2022-03-11 CN claimed
CN-112778311-A Nitrogen-containing fused ring derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2021-05-11 CN claimed
CN-112654621-A Substituted naphthyridinone compounds useful as T cell activators 百时美施贵宝公司 2021-04-13 CN claimed
CN-111491930-A Substituted indole compounds useful as T L R inhibitors 百时美施贵宝公司 2020-08-04 CN claimed
EP-2398558-A1 AMINE OR AMINO ALCOHOLS AS GLYT1 INHIBITORS F. Hoffmann-La Roche AG (CH) 2011-12-28 EP claimed
WO-2010094659-A1 AMINE OR AMINO ALCOHOLS AS GLYT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-08-26 WO claimed
US-6949546-B2 N-ureidoheterocycloalkyl-piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-09-27 US claimed
US-20040058961-A1 N-ureidoheterocycloalkyl-piperidines as modulators of chemokine receptor activity KO SOO S (US) 2004-03-25 US claimed
US-6627629-B2 Useful for the treatment or prevention of asthma and other allergic diseases. BRISTOL-MYERS SQUIBB PHARMA 2003-09-30 US claimed
CN-1440402-A N-ureidoheterocycloalkyl-piperidines as modulators of chemokine receptor activity BRISTOL MYERS SQUIBB PHARMA CO (US) 2003-09-03 CN claimed
EP-1296978-A2 N-UREIDOHETEROCYCLOAKLYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2003-04-02 EP claimed
US-20030032654-A1 N-ureidoheterocycloalkyl-piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-02-13 US claimed
WO-2002002525-A2 N-UREIDOHETEROCYCLOAKLYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-01-10 WO claimed