⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7146536 | 0.74 | — | — | |
| SCHEMBL8674521 | 0.71 | NLRP3 (0.40) | — | |
| SCHEMBL7147326 | 0.67 | PGR (0.35) | — | |
| SCHEMBL16683947 | 0.65 | — | — | |
| SCHEMBL8109987 | 0.65 | — | — | |
| SCHEMBL16322012 | 0.62 | — | — | |
| SCHEMBL157410 | 0.61 | — | — | |
| SCHEMBL17864028 | 0.59 | — | — | |
| SCHEMBL3715651 | 0.59 | — | — | |
| SCHEMBL18610618 | 0.59 | — | — |
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-2637705-A1 | CONJUGATES AND THEIR USES IN MOLECULAR IMAGING | King's College London (GB) | 2013-09-18 | — | — | EP | disclosed |
| WO-2012063028-A1 | CONJUGATES AND THEIR USES IN MOLECULAR IMAGING | KING'S COLLEGE LONDON (GB) | 2012-05-18 | — | — | WO | disclosed |