⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6001752 | 0.82 | DAO (0.32) | — | |
| SCHEMBL7468245 | 0.78 | DAO (0.42) | — | |
| SCHEMBL128751 | 0.78 | — | — | |
| SCHEMBL10946277 | 0.78 | PTPN1 (0.31) | — | |
| SCHEMBL15110938 | 0.78 | CES2 (0.31) | — | |
| SCHEMBL10567380 | 0.74 | PTPN2 (0.31) | — | |
| SCHEMBL27397192 | 0.72 | RXRA (0.44) | — | |
| SCHEMBL29049111 | 0.71 | LTB4R (0.43) | — | |
| SCHEMBL7478034 | 0.70 | ALDH1A1 (0.38) | — | |
| SCHEMBL10465340 | 0.67 | LMNA (0.32) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3019487-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2016-05-18 | — | — | EP | disclosed |
| CN-105358544-A | Heterocyclic compound | TAKEDA PHARMACEUTICAL | 2016-02-24 | — | — | CN | disclosed |
| US-9199963-B2 | Heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-12-01 | — | — | US | disclosed |
| WO-2015005489-A1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-01-15 | — | — | WO | disclosed |