⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14318336 | 1.00 | — | — | |
| SCHEMBL14318337 | 1.00 | — | — | |
| SCHEMBL5139966 | 0.80 | — | — | |
| SCHEMBL12268 | 0.79 | — | — | |
| SCHEMBL12212 | 0.79 | — | — | |
| SCHEMBL12219 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL1372279 | 0.77 | CA1 (0.43) | — | |
| Hydrochloric Acid SCHEMBL1372283 | 0.77 | CA1 (0.43) | — | |
| Iodide SCHEMBL10698321 | 0.77 | CA1 (0.43) | — | |
| SCHEMBL7166144 | 0.75 | CA1 (0.42) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015138839-A1 | PHARMACEUTICAL COMPOSITIONS OF THERAPEUTICALLY ACTIVE COMPOUNDS | AGIOS PHARMACEUTICALS, INC. (US) | 2015-09-17 | — | — | WO | disclosed |
| WO-2015138837-A1 | PHARMACEUTICAL COMPOSITIONS OF THERAPEUTICALLY ACTIVE COMPOUNDS | AGIOS PHARMACEUTICALS, INC (US) | 2015-09-17 | — | — | WO | disclosed |
| WO-2015127172-A1 | THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE | AGIOS PHARMACEUTICALS, INC. (US) | 2015-08-27 | — | — | WO | disclosed |
| WO-2015017821-A2 | THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE | AGIOS PHARMACEUTICALS, INC. (US) | 2015-02-05 | — | — | WO | disclosed |
| WO-2015003641-A1 | THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE | AGIOS PHARMACEUTICALS, INC. (US) | 2015-01-15 | — | — | WO | disclosed |
| WO-2013107405-A1 | THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE | AGIOS PHARMACEUTICALS, INC. (US) | 2013-07-25 | — | — | WO | disclosed |
| WO-2012171506-A1 | COMPOUNDS, THEIR PHARMACEUTICAL COMPOSITIONS AND THEIR USES AS IDH1 MUTANTS INHIBITORS FOR TREATING CANCERS | AGIOS PHARMACEUTICALS, INC. (US) | 2012-12-20 | — | — | WO | disclosed |