⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL989990 | 0.82 | TSHR (0.40) | — | |
| SCHEMBL7716034 | 0.76 | TDP1 (0.33) | — | |
| SCHEMBL7716168 | 0.74 | TDP1 (0.33) | — | |
| SCHEMBL7719269 | 0.73 | — | — | |
| SCHEMBL3120407 | 0.72 | RIPK1 (0.31) | — | |
| SCHEMBL7510682 | 0.70 | TDP1 (0.34) | — | |
| SCHEMBL7451632 | 0.69 | GRM5 (0.33) | — | |
| SCHEMBL4840129 | 0.69 | IDO1 (0.53) | — | |
| SCHEMBL393765 | 0.67 | — | — | |
| SCHEMBL252046 | 0.67 | IDO1 (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6391916-B1 | ANTITUMOR AGENTS | THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) | 2002-05-21 | — | — | US | claimed |
| US-6391916-B1 | ANTITUMOR AGENTS | THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) | 2002-05-21 | — | — | US | disclosed |