⚠ 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 SCHEMBL2969334 | 1.00 | — | — | |
| SCHEMBL13203660 | 0.95 | DRD4 (0.32) | — | |
| Trifluoroacetic Acid SCHEMBL2978471 | 0.92 | HTR1A (0.31) | — | |
| Trifluoroacetic Acid SCHEMBL2661451 | 0.92 | HTR1A (0.31) | — | |
| Trifluoroacetic Acid SCHEMBL2963455 | 0.91 | — | — | |
| Trifluoroacetic Acid SCHEMBL2976208 | 0.91 | HSD17B10 (0.38) | — | |
| Trifluoroacetic Acid SCHEMBL2976706 | 0.91 | — | — | |
| Trifluoroacetic Acid SCHEMBL2978766 | 0.91 | LMNA (0.31) | — | |
| Trifluoroacetic Acid SCHEMBL2973985 | 0.90 | — | — | |
| Trifluoroacetic Acid SCHEMBL3504955 | 0.89 | HTR1A (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 |
|---|---|---|---|---|---|---|---|
| US-8410087-B2 | Indole compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-04-02 | — | — | US | disclosed |
| US-20100144702-A1 | INDOLE COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-06-10 | — | — | US | disclosed |