⚠ 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL2660948 | 0.93 | SLC2A1 (0.32) | — | |
| Trifluoroacetic Acid SCHEMBL2660327 | 0.92 | S1PR1 (0.32) | — | |
| Trifluoroacetic Acid SCHEMBL2659519 | 0.91 | NPC1 (0.33) | — | |
| Trifluoroacetic Acid SCHEMBL2659467 | 0.89 | MEN1 (0.34) | — | |
| Trifluoroacetic Acid SCHEMBL2659557 | 0.88 | SLC2A1 (0.33) | — | |
| Trifluoroacetic Acid SCHEMBL2659546 | 0.83 | NPC1 (0.35) | — | |
| Trifluoroacetic Acid SCHEMBL2660120 | 0.82 | CCNT1 (0.30) | — | |
| Trifluoroacetic Acid SCHEMBL2659234 | 0.81 | MEN1 (0.37) | — | |
| Trifluoroacetic Acid SCHEMBL2659328 | 0.81 | OGA (0.32) | — | |
| Trifluoroacetic Acid SCHEMBL2660400 | 0.79 | AGTR2 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2074119-A1 | INDOLE COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2009-07-01 | — | — | EP | disclosed |
| WO-2008050821-A1 | INDOLE COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-05-02 | — | — | WO | disclosed |