⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21395798 | 0.80 | MAPT (0.34) | — | |
| SCHEMBL19783461 | 0.73 | NSD1 (0.37) | — | |
| SCHEMBL19783026 | 0.73 | PDE10A (0.32) | — | |
| SCHEMBL19782781 | 0.71 | MAPT (0.38) | — | |
| SCHEMBL19783689 | 0.67 | LMNA (0.45) | — | |
| SCHEMBL19783123 | 0.62 | S1PR4 (0.32) | — | |
| SCHEMBL19783185 | 0.62 | MAPT (0.36) | — | |
| SCHEMBL19783073 | 0.62 | KMT2A (0.33) | — | |
| SCHEMBL19782967 | 0.61 | HTT (0.42) | — | |
| SCHEMBL19782753 | 0.61 | HSD17B10 (0.42) | — |
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-20190292176-A1 | BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS | BISTOL MYERS SQUIBB COMPANY (US) | 2019-09-26 | — | — | US | disclosed |