⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL68956 | 0.79 | — | — | |
| SCHEMBL7653 | 0.74 | — | — | |
| SCHEMBL10343592 | 0.72 | — | — | |
| SCHEMBL27569242 | 0.72 | — | — | |
| Ammonia Solution, Strong SCHEMBL27920701 | 0.70 | — | — | |
| SCHEMBL3281276 | 0.67 | — | — | |
| SCHEMBL3288573 | 0.67 | ALDH1A1 (0.40) | — | |
| SCHEMBL14690996 | 0.67 | — | — | |
| SCHEMBL986396 | 0.67 | — | — | |
| SCHEMBL26445594 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113416229-A | Cytotoxic and antimitotic compounds, and methods of use thereof | 酵活有限公司 | 2021-09-21 | — | — | CN | disclosed |
| CN-107001415-B | Cytotoxic and antimitotic compounds, and methods of use thereof | 酵活有限公司 | 2021-06-18 | — | — | CN | disclosed |
| EP-1146061-A1 | MICHAEL ADDITION TYPE URETHANE-UREA RESIN, PROCESS FOR PRODUCING THE SAME, PRESSURE-SENSITIVE ADHESIVE, PROCESS FOR PRODUCING THE SAME, COATING MATERIAL FOR FORMING INK-RECEIVING LAYER, AND RECORDING MATERIAL | Toyo Ink Manufacturing Co. Ltd. (JP) | 2001-10-17 | — | — | EP | disclosed |
| US-5830915-A | ORAL DISEASES; SKIN DISORDERS; ANTIINFLAMMATORY AGENTS | THE PROCTER & GAMBLE COMPANY (US) | 1998-11-03 | — | — | US | disclosed |