SCHEMBL181658

SCHEMBL181658

[CH2]CCn1ccnc1

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
SCHEMBL27875972 0.98
SCHEMBL1097688 0.86
SCHEMBL4685916 0.84 TBXAS1 (0.75)
SCHEMBL28303304 0.84
SCHEMBL4773938 0.84 TBXAS1 (0.75)
SCHEMBL25322190 0.82 TBXAS1 (0.79)
SCHEMBL25320746 0.82 TBXAS1 (0.79)
SCHEMBL25315015 0.82 TBXAS1 (0.79)
SCHEMBL6267092 0.82 TBXAS1 (0.79)
SCHEMBL9640710 0.82 TBXAS1 (0.79)

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 1589 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116693551-A Dihydropyrazole azepine compound, pharmaceutical composition containing same and application of compound in resisting tumor 浙江大学 2023-09-05 CN claimed
CN-110590708-B Aroyl piperazine compound, preparation method thereof and application thereof in antivirus 中国医学科学院医药生物技术研究所 2021-08-17 CN claimed
EP-3862354-A1 INDOLOPYRIDINES AS EG5 KINESIN MODULATORS 4SC AG (DE) 2021-08-11 EP claimed
EP-2824105-B1 Indolopyridines as Eg5 kinesin modulators 4SC AG (DE) 2021-03-31 EP claimed
CN-110590708-A Aroyl piperazine compound, preparation method thereof and application thereof in antivirus 中国医学科学院医药生物技术研究所 2019-12-20 CN claimed
US-10421954-B2 Hybrid polymers, pharmaceutical compositions and methods of synthesizing the same NEW YORK UNIVERSITY (US) 2019-09-24 US claimed
US-9969773-B2 Polymers, pharmaceutical compositions and methods of synthesizing the same NEW YORK UNIVERSITY (US) 2018-05-15 US claimed
CN-108003035-A A kind of synthetic method of pharmaceutical intermediate 3-Aminotrifluorotoluene 徐州诺克非医药科技有限公司 2018-05-08 CN claimed
EP-1175383-B1 GLUCOCORTICOID RECEPTOR MODULATORS PFIZER PROD INC (US) 2018-03-14 EP claimed
US-9629830-B2 EphA4 inhibitors as neuroprotective agents THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2017-04-25 US claimed
WO-1993023402-A1 3-AZETIDINYLTHIO-CARBAPENEME DERIVATIVES, THEIR PREPARATION AND USE AS ANTIMICROBIAL AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-11-25 WO claimed
WO-1992006978-A1 1-AZABICYCLO[3.2.0]HEPT-2-ENE-2-CARBOXYLIC ACID COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-04-30 WO claimed
EP-0437508-A4 NON-PEPTIDE RENIN INHIBITORS 1991-11-06 EP claimed
EP-0437508-A1 NON-PEPTIDE RENIN INHIBITORS ABBOTT LABORATORIES (US) 1991-07-24 EP claimed
EP-0400451-A1 Benzisothiazolazo dyes with a coupling component of thiazole or pyridine series BASF Aktiengesellschaft (DE) 1990-12-05 EP claimed
EP-0371467-A2 Beta-amino boron acid derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1990-06-06 EP claimed
WO-1990003971-A1 NON-PEPTIDE RENIN INHIBITORS ABBOTT LABORATORIES (US) 1990-04-19 WO claimed
US-4839352-A ANTIBIOTICS MERCK & CO., INC. (US) 1989-06-13 US claimed
EP-0124067-B1 2-(AMINOALKYL)-PYRROLE DERIVATIVES, PROCESS FOR THEIR MANUFACTURE AND THEIR USE CASSELLA Aktiengesellschaft (DE) 1986-12-17 EP claimed
EP-0124067-A1 2-(Aminoalkyl)-pyrrole derivatives, process for their manufacture and their use CASSELLA Aktiengesellschaft (DE) 1984-11-07 EP claimed