⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19950807 | 1.00 | — | — | |
| SCHEMBL19958207 | 0.76 | KDM4E (0.42) | — | |
| SCHEMBL2771920 | 0.75 | — | — | |
| SCHEMBL28797373 | 0.73 | FGFR4 (0.41) | — | |
| SCHEMBL19958205 | 0.71 | CA12 (0.41) | — | |
| SCHEMBL21922822 | 0.67 | NOS3 (0.41) | — | |
| SCHEMBL18103976 | 0.67 | ALDH1A1 (0.42) | — | |
| SCHEMBL12127970 | 0.67 | TRPM8 (0.39) | — | |
| SCHEMBL28797376 | 0.67 | L3MBTL1 (0.50) | — | |
| SCHEMBL29693275 | 0.67 | L3MBTL1 (0.50) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10287286-B2 | Compounds | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2019-05-14 | — | — | US | disclosed |
| US-10287286-B2 | Compounds | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2019-05-14 | — | — | US | disclosed |
| US-20180072714-A1 | Novel Compounds | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2018-03-15 | — | — | US | disclosed |
| US-20180072714-A1 | Novel Compounds | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2018-03-15 | — | — | US | disclosed |
| US-20180072714-A1 | Novel Compounds | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2018-03-15 | — | — | US | disclosed |