⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29738 | 0.77 | — | — | |
| Biguanide SCHEMBL27281732 | 0.76 | CRBN (0.38) | — | |
| SCHEMBL1398236 | 0.76 | — | — | |
| Formic Acid SCHEMBL28084666 | 0.72 | CRBN (0.39) | — | |
| SCHEMBL9400754 | 0.72 | — | — | |
| Bromide SCHEMBL8587199 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL3220913 | 0.72 | — | — | |
| SCHEMBL9809865 | 0.69 | LMNA (0.33) | — | |
| Biguanide SCHEMBL4198353 | 0.69 | ACHE (0.40) | — | |
| SCHEMBL146394 | 0.69 | — | — |
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-5340403-A | Hydrolysis of lignocellulose | ZENECA LIMITED (GB) | 1994-08-23 | — | — | US | disclosed |
| EP-0265111-B1 | PROCESS FOR THE PRODUCTION OF XYLOSE | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-03-18 | — | — | EP | disclosed |
| EP-0265111-A2 | Process for the production of xylose | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-04-27 | — | — | EP | disclosed |