⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1260196 | 0.81 | — | — | |
| SCHEMBL27586853 | 0.79 | NOS2 (0.52) | — | |
| SCHEMBL18071553 | 0.77 | — | — | |
| SCHEMBL9305969 | 0.77 | — | — | |
| SCHEMBL3376292 | 0.77 | — | — | |
| SCHEMBL4286200 | 0.75 | — | — | |
| SCHEMBL9424197 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL11250136 | 0.75 | — | — | |
| SCHEMBL9303793 | 0.75 | — | — | |
| SCHEMBL11252136 | 0.72 | NOS2 (0.45) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8304557-B2 | Fused heterocycle derivatives and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-11-06 | — | — | US | disclosed |
| US-20090163488-A1 | FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-06-25 | — | — | US | disclosed |