⚠ 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 SCHEMBL2660601 | 0.94 | NR1H3 (0.32) | — | |
| SCHEMBL13203585 | 0.94 | ALDH1A1 (0.32) | — | |
| Trifluoroacetic Acid SCHEMBL2659782 | 0.91 | LMNA (0.30) | — | |
| Trifluoroacetic Acid SCHEMBL2978102 | 0.91 | LMNA (0.30) | — | |
| Trifluoroacetic Acid SCHEMBL2979050 | 0.89 | KDM4E (0.34) | — | |
| Trifluoroacetic Acid SCHEMBL2971534 | 0.88 | NTRK1 (0.33) | — | |
| Trifluoroacetic Acid SCHEMBL2660750 | 0.88 | TAS2R14 (0.32) | — | |
| Trifluoroacetic Acid SCHEMBL2969892 | 0.88 | ALDH1A1 (0.31) | — | |
| Trifluoroacetic Acid SCHEMBL2978758 | 0.88 | LMNA (0.30) | — | |
| Trifluoroacetic Acid SCHEMBL2972516 | 0.87 | MEN1 (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 9 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 |
| EP-2508524-A2 | Indole compound | Takeda Pharmaceutical Company Limited (JP) | 2012-10-10 | — | — | EP | disclosed |
| US-7777047-B2 | Indole compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-08-17 | — | — | US | disclosed |
| US-20100144702-A1 | INDOLE COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-06-10 | — | — | US | disclosed |
| US-20100137610-A1 | Indole compound | YASUMA TSUNEO | 2010-06-03 | — | — | US | disclosed |
| US-7718798-B2 | Indole compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-05-18 | — | — | US | disclosed |
| US-7652133-B2 | Indole compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-01-26 | — | — | US | disclosed |
| US-20090286975-A1 | Indole compound | YASUMA TSUNEO | 2009-11-19 | — | — | US | disclosed |
| US-20080096877-A1 | Glucokinase activators; prophylaxis or treatment of diabetes, obesity; sulfonamide or sulfonate-functional thiazole or thiadiazole-substituted indoles; N,N-dimethyl-2-{4-[(2-{7-[methyl(2-thienylsulfonyl)amino]-1H-indol-2-yl}-1,3-thiazol-5-yl)methyl]piperazin-1-yl}acetamide for example | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-04-24 | — | — | US | disclosed |