⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10670977 | 0.76 | MKNK1 (0.30) | — | |
| SCHEMBL3099642 | 0.71 | — | — | |
| SCHEMBL9508624 | 0.70 | — | — | |
| SCHEMBL11775856 | 0.69 | TLR4 (0.31) | — | |
| SCHEMBL18756788 | 0.66 | — | — | |
| SCHEMBL7445729 | 0.66 | — | — | |
| Trimethylammonium SCHEMBL27495309 | 0.64 | — | — | |
| SCHEMBL27476502 | 0.64 | AKR1C3 (0.30) | — | |
| SCHEMBL11098492 | 0.64 | POLB (0.32) | — | |
| SCHEMBL7451438 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0759025-A1 | AMIDE DERIVATIVES AND THEIR THERAPEUTIC USE | THE WELLCOME FOUNDATION LIMITED (GB) | 1997-02-26 | — | — | EP | disclosed |
| WO-1995030644-A1 | AMIDE DERIVATIVES AND THEIR THERAPEUTIC USE | THE WELLCOME FOUNDATION LIMITED (GB) | 1995-11-16 | — | — | WO | disclosed |