⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7736489 | 0.78 | — | — | |
| SCHEMBL9430418 | 0.78 | — | — | |
| SCHEMBL8050991 | 0.75 | — | — | |
| SCHEMBL16883878 | 0.75 | — | — | |
| SCHEMBL28248918 | 0.75 | TET2 (0.31) | — | |
| SCHEMBL11760396 | 0.75 | TET2 (0.31) | — | |
| SCHEMBL97535 | 0.73 | — | — | |
| SCHEMBL23287927 | 0.73 | — | — | |
| SCHEMBL13487230 | 0.73 | HSD17B10 (0.33) | — | |
| SCHEMBL14867146 | 0.73 | TDP1 (0.33) | — |
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-3510024-B1 | PYRIDYL SUBSTITUTED INDOLE COMPOUNDS | BRISTOL MYERS SQUIBB CO (US) | 2021-11-17 | — | — | EP | disclosed |
| WO-2019245008-A1 | METHOD FOR PRODUCING FLUORINATED COMPOUND | ダイキン工業株式会社 | 2019-12-26 | — | — | WO | disclosed |