⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19770678 | 0.86 | TDP1 (0.31) | — | |
| SCHEMBL13381787 | 0.82 | TDP1 (0.43) | — | |
| SCHEMBL10099855 | 0.82 | TDP1 (0.43) | — | |
| SCHEMBL13075221 | 0.81 | — | — | |
| SCHEMBL21319416 | 0.80 | GABBR2 (0.32) | — | |
| SCHEMBL27960518 | 0.80 | — | — | |
| SCHEMBL29531933 | 0.79 | — | — | |
| SCHEMBL8738746 | 0.78 | TDP1 (0.45) | — | |
| SCHEMBL5611466 | 0.78 | — | — | |
| SCHEMBL12233444 | 0.78 | TDP1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0018884-B1 | PROCESS FOR THE PREPARATION OF TRIS(ETHER AMINES) AND SO OBTAINED TRIS(ETHER AMINES) | RHONE-POULENC SPECIALITES CHIMIQUES (FR) | 1981-11-04 | — | — | EP | claimed |
| EP-1987037-A2 | FUSED HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2008-11-05 | — | — | EP | disclosed |
| WO-2007097470-A2 | FUSED NITROGEN- COMPRISING HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-08-30 | — | — | WO | disclosed |