⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL10411490 | 0.99 | — | — | |
| SCHEMBL10869402 | 0.87 | — | — | |
| SCHEMBL10411966 | 0.86 | — | — | |
| SCHEMBL10868119 | 0.86 | — | — | |
| SCHEMBL10869286 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL10411406 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL10411967 | 0.84 | — | — | |
| SCHEMBL10868107 | 0.83 | — | — | |
| SCHEMBL10868700 | 0.83 | POLB (0.52) | — | |
| SCHEMBL10411634 | 0.83 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100048658-A1 | FUSED HETEROCYCLIC COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2010-02-25 | — | — | US | claimed |
| US-8039500-B2 | Fused heterocyclic compounds | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-10-18 | — | — | US | disclosed |
| US-20100048658-A1 | FUSED HETEROCYCLIC COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2010-02-25 | — | — | US | disclosed |