⚠ 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2378833 | 0.90 | — | — | |
| SCHEMBL4272634 | 0.87 | ALDH1A1 (0.69) | — | |
| SCHEMBL8404118 | 0.77 | — | — | |
| SCHEMBL7141635 | 0.77 | — | — | |
| SCHEMBL212626 | 0.76 | — | — | |
| SCHEMBL1290871 | 0.76 | ALDH1A1 (0.75) | — | |
| SCHEMBL21216 | 0.76 | ALDH1A1 (0.91) | — | |
| Hydrochloric Acid SCHEMBL7417546 | 0.74 | — | — | |
| SCHEMBL25860129 | 0.73 | — | — | |
| SCHEMBL10790523 | 0.72 | ALDH1A1 (0.83) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024103126-A1 | TSPO LIGANDS | THE UNIVERSITY OF SYDNEY (AU) | 2024-05-23 | — | — | WO | disclosed |
| US-20230257375-A1 | AZETIDINE DERIVATIVES FOR THE TREATMENT OF INTEGRIN ASSOCIATED DISEASES | THE UNIVERSITY OF NOTTINGHAM (GB) | 2023-08-17 | — | — | US | disclosed |
| US-20230257375-A1 | AZETIDINE DERIVATIVES FOR THE TREATMENT OF INTEGRIN ASSOCIATED DISEASES | THE UNIVERSITY OF NOTTINGHAM (GB) | 2023-08-17 | — | — | US | disclosed |
| WO-2022008918-A1 | AZETIDINE DERIVATIVES FOR THE TREATMENT OF INTEGRIN ASSOCIATED DISEASES | UNIVERSITY OF NOTTINGHAM (GB) | 2022-01-13 | — | — | WO | disclosed |
| WO-2018072602-A1 | THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF | GENENTECH, INC. (US) | 2018-04-26 | — | — | WO | disclosed |
| US-8793078-B2 | Method for predicting activation energy using atomic fingerprint descriptor or atomic descriptor | BIOINFORMATICS & MOLECULAR DESIGN RESEARCH CENTER (KR) | 2014-07-29 | — | — | US | disclosed |
| WO-2013081400-A2 | NOVEL BENZAMIDE DERIVATIVE AND USE THEREOF | 주식회사 비보존 (KR) | 2013-06-06 | — | — | WO | disclosed |
| US-20120084012-A1 | METHOD FOR PREDICTING ACTIVATION ENERGY USING ATOMIC FINGERPRINT DESCRIPTOR OR ATOMIC DESCRIPTOR | BIOINFORMATICS & MOLECULAR DESIGN RESEARCH CENTER (KR) | 2012-04-05 | — | — | US | disclosed |
| US-20110213558-A1 | METHOD FOR PREDICTING ACTIVATION ENERGY USING AN ATOMIC FINGERPRINT DESCRIPTOR OR AN ATOMIC DESCRIPTOR | BIOINFORMATICS & MOLECULAR DESIGN RESEARCH CENTER (KR) | 2011-09-01 | — | — | US | disclosed |
| EP-2354987-A2 | METHOD FOR PREDICTING ACTIVATION ENERGY USING AN ATOMIC FINGERPRINT DESCRIPTOR OR AN ATOMIC DESCRIPTOR | Bioinformatics&Molecular Design Research Center (KR) | 2011-08-10 | — | — | EP | disclosed |