⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10463076 | 0.81 | SOS1 (0.38) | — | |
| SCHEMBL757660 | 0.69 | SOS1 (0.32) | — | |
| SCHEMBL12339300 | 0.66 | SOS1 (0.33) | — | |
| SCHEMBL6743419 | 0.66 | SOS1 (0.31) | — | |
| SCHEMBL27901103 | 0.66 | CHRM5 (0.31) | — | |
| SCHEMBL28044288 | 0.66 | — | — | |
| SCHEMBL17789639 | 0.65 | SOS1 (0.45) | — | |
| Hydrochloric Acid SCHEMBL4591290 | 0.64 | CHRM5 (0.30) | — | |
| SCHEMBL29070654 | 0.63 | — | — | |
| SCHEMBL13735001 | 0.62 | CHRM5 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-103764658-A | Compounds, their pharmaceutical compositions and their uses as IDH1 mutants inhibitors for treating cancers | AGIOS PHARMACEUTICALS INC | 2014-04-30 | — | — | CN | disclosed |
| CN-102827170-A | Active treatment compositions and use method thereof | ANGIE OSWALD PHARMACEUTICALS CO LTD | 2012-12-19 | — | — | CN | disclosed |