⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1996058 | 0.97 | — | — | |
| SCHEMBL4284671 | 0.83 | — | — | |
| SCHEMBL6977983 | 0.69 | — | — | |
| SCHEMBL12393332 | 0.67 | ALDH1A1 (0.50) | — | |
| SCHEMBL21464139 | 0.67 | ALDH1A1 (0.50) | — | |
| SCHEMBL2154881 | 0.67 | ALDH1A1 (0.50) | — | |
| SCHEMBL16424154 | 0.67 | ALDH1A1 (0.50) | — | |
| SCHEMBL21467312 | 0.67 | ALDH1A1 (0.50) | — | |
| SCHEMBL647392 | 0.67 | ALDH1A1 (0.50) | — | |
| SCHEMBL2155259 | 0.67 | ALDH1A1 (0.50) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114149345-B | Method for preparing isocyanate | 万华化学集团股份有限公司 | 2023-04-21 | — | — | CN | disclosed |
| CN-114149345-A | Method for preparing isocyanate | 万华化学集团股份有限公司 | 2022-03-08 | — | — | CN | disclosed |
| US-20080139456-A1 | Macrocyclic Sh2 Domain Binding Inhibitors | GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES | 2008-06-12 | — | — | US | disclosed |
| EP-1793843-A1 | MACROCYCLIC SH2 DOMAIN BINDING INHIBITORS | Government of the United States of America, Represented by the Secretary, Department of Health and Human Services (US) | 2007-06-13 | — | — | EP | disclosed |
| WO-2006039527-A1 | MACROCYCLIC SH2 DOMAIN BINDING INHIBITORS | GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2006-04-13 | — | — | WO | disclosed |
| US-4196233-A | Process for coating inorganic substrates with carbides, nitrides and/or carbonitrides | CIBA-GEIGY CORPORATION (US) | 1980-04-01 | — | — | US | disclosed |
| US-4028142-A | ON IRON, BORON, SILICON ANDOR GROUP 4B TO 6B METALS BY DECOMPOSITION TO PRODUCE DIFFUSION LAYERS | CIBA-GEIGY CORPORATION (US) | 1977-06-07 | — | — | US | disclosed |