⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2322015 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL3267215 | 0.77 | FFAR3 (0.39) | — | |
| Hydrochloric Acid SCHEMBL627728 | 0.77 | FFAR3 (0.39) | — | |
| Hydrochloric Acid SCHEMBL28434900 | 0.77 | FFAR3 (0.39) | — | |
| SCHEMBL115741 | 0.74 | FFAR3 (0.41) | — | |
| SCHEMBL16465221 | 0.73 | — | — | |
| SCHEMBL28419811 | 0.72 | FFAR3 (0.39) | — | |
| Water SCHEMBL5129171 | 0.72 | FFAR3 (0.39) | — | |
| SCHEMBL12060203 | 0.71 | TSHR (0.31) | — | |
| Hydrogen Sulfide SCHEMBL28099749 | 0.71 | TSHR (0.36) | — |
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-8445509-B2 | Fused heterocyclic derivatives and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-05-21 | — | — | US | disclosed |
| US-20110046169-A1 | FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-02-24 | — | — | US | disclosed |
| WO-2009136663-A1 | FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-11-12 | — | — | WO | disclosed |