⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28884812 | 0.71 | — | — | |
| SCHEMBL30863955 | 0.67 | HSD17B10 (0.44) | — | |
| SCHEMBL30267304 | 0.65 | — | — | |
| SCHEMBL676558 | 0.65 | — | — | |
| SCHEMBL5553224 | 0.63 | — | — | |
| SCHEMBL12198440 | 0.63 | HTT (0.38) | — | |
| SCHEMBL29522058 | 0.63 | — | — | |
| SCHEMBL18502842 | 0.62 | HSD17B10 (0.39) | — | |
| SCHEMBL14190582 | 0.62 | HSD17B10 (0.39) | — | |
| SCHEMBL1101957 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1183033-B1 | PYRROLOTRIAZINE INHIBITORS OF KINASES | BRISTOL MYERS SQUIBB CO (US) | 2006-03-01 | — | — | EP | disclosed |