⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13409808 | 0.73 | ALOX15 (0.57) | — | |
| SCHEMBL1411717 | 0.71 | — | — | |
| Hydroquinone SCHEMBL11511669 | 0.71 | ALOX15 (1.00) | — | |
| Hydroquinone SCHEMBL15516 | 0.71 | — | — | |
| Hydroquinone SCHEMBL460669 | 0.71 | ALOX15 (1.00) | — | |
| SCHEMBL4569537 | 0.69 | — | — | |
| Hydroquinone SCHEMBL23777850 | 0.68 | ALOX15 (0.73) | — | |
| Hydroquinone SCHEMBL1643593 | 0.67 | — | — | |
| Hydroquinone SCHEMBL612973 | 0.67 | ALOX15 (0.89) | — | |
| Hydroquinone SCHEMBL1549929 | 0.67 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220168322-A1 | NOVEL STAT3 INHIBITORS IDENTIFIED BY STRUCTURE-BASED VIRTUAL SCREENING INCORPORATING SH2 DOMAIN FLEXIBILITY | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 2022-06-02 | — | — | US | disclosed |
| CN-102934635-B | Environment-friendly mould-proof and anti-discoloration protective agent for rubber wood | RUBBER RES INST CHINESE ACADEMY TROPICAL AGRICULTURAL SCIENCES | 2014-07-30 | — | — | CN | disclosed |
| CN-102934635-A | Environment-friendly mould-proof and anti-discoloration protective agent for rubber wood | RUBBER RES INST CHINESE ACADEMY TROPICAL AGRICULTURAL SCIENCES | 2013-02-20 | — | — | CN | disclosed |