⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1931707 | 0.77 | TDP1 (0.35) | — | |
| SCHEMBL15545903 | 0.73 | — | — | |
| SCHEMBL19428712 | 0.71 | TET2 (0.30) | — | |
| SCHEMBL408136 | 0.70 | TSHR (0.33) | — | |
| SCHEMBL12138871 | 0.70 | ALDH1A1 (0.33) | — | |
| Phosphonic Acid SCHEMBL2556225 | 0.70 | — | — | |
| SCHEMBL21235991 | 0.70 | — | — | |
| SCHEMBL13644771 | 0.69 | — | — | |
| SCHEMBL21235840 | 0.67 | ALDH1A1 (0.31) | — | |
| SCHEMBL21235964 | 0.67 | ALDH1A1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9856279-B2 | Therapeutically active compositions and their methods of use | AGIOS PHARMACEUTICALS, INC. (US) | 2018-01-02 | — | — | US | disclosed |
| US-20160229876-A1 | THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE | SERVIER PHARMACEUTICALS LLC | 2016-08-11 | — | — | US | disclosed |
| US-20140213580-A1 | THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE | AGIOS PHARMACEUTICALS, INC (US) | 2014-07-31 | — | — | US | disclosed |