⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31757163 | 0.82 | ALDH1A1 (0.41) | — | |
| SCHEMBL9777762 | 0.80 | TSHR (0.39) | — | |
| SCHEMBL1173105 | 0.78 | ALDH1A1 (0.41) | — | |
| SCHEMBL2028292 | 0.77 | TSHR (0.37) | — | |
| SCHEMBL11812233 | 0.77 | TSHR (0.39) | — | |
| SCHEMBL25091080 | 0.77 | TSHR (0.37) | — | |
| SCHEMBL18464430 | 0.77 | TSHR (0.37) | — | |
| SCHEMBL24114770 | 0.77 | TSHR (0.39) | — | |
| SCHEMBL10777203 | 0.77 | TSHR (0.37) | — | |
| SCHEMBL24333257 | 0.75 | TSHR (0.35) | — |
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-2948451-B1 | SUBSTITUTED PURINONE COMPOUNDS | NOVARTIS AG (CH) | 2017-07-12 | — | — | EP | disclosed |
| EP-0410184-A1 | Photographic material and its preparation | Agfa-Gevaert AG (DE) | 1991-01-30 | — | — | EP | disclosed |