⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18024873 | 0.79 | THRB (0.44) | — | |
| SCHEMBL18024872 | 0.79 | THRB (0.44) | — | |
| SCHEMBL19410348 | 0.73 | — | — | |
| SCHEMBL17995300 | 0.71 | — | — | |
| SCHEMBL17696604 | 0.70 | THRB (0.32) | — | |
| SCHEMBL17696602 | 0.70 | THRB (0.32) | — | |
| SCHEMBL21771285 | 0.70 | NPC1 (0.30) | — | |
| SCHEMBL19353895 | 0.70 | NPC1 (0.30) | — | |
| SCHEMBL12797176 | 0.68 | — | — | |
| SCHEMBL6538699 | 0.68 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9931408-B2 | Bio-orthogonal drug activation | KONINKLIJKE PHILIPS N.V. (NL) | 2018-04-03 | — | — | US | disclosed |