⚠ 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL4698480 | 1.00 | — | — | |
| SCHEMBL3537101 | 0.88 | — | — | |
| Trifluoroacetic Acid SCHEMBL27969704 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL3963500 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL4701756 | 0.86 | — | — | |
| Water SCHEMBL28206229 | 0.86 | — | — | |
| Formic Acid SCHEMBL4699651 | 0.81 | — | — | |
| SCHEMBL193861 | 0.74 | — | — | |
| Benzene SCHEMBL28096982 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL27969702 | 0.72 | — | — |
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-1987037-A2 | FUSED HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2008-11-05 | — | — | EP | disclosed |
| WO-2007097470-A2 | FUSED NITROGEN- COMPRISING HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-08-30 | — | — | WO | disclosed |