⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27551587 | 0.83 | CA2 (0.38) | — | |
| SCHEMBL11573869 | 0.76 | HPGD (0.33) | — | |
| SCHEMBL11690412 | 0.75 | — | — | |
| SCHEMBL4951271 | 0.75 | — | — | |
| SCHEMBL12284353 | 0.75 | — | — | |
| SCHEMBL25893602 | 0.75 | PKM (0.31) | — | |
| SCHEMBL10621319 | 0.73 | CA2 (0.39) | — | |
| SCHEMBL11152441 | 0.71 | FAAH (0.31) | — | |
| SCHEMBL8055752 | 0.71 | — | — | |
| SCHEMBL17447008 | 0.71 | — | — |
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-9024014-B2 | Phosphorus-containing compounds and uses thereof | ARIAD PHARMACEUTICALS, INC. (US) | 2015-05-05 | — | — | US | disclosed |
| US-7238679-B2 | Heterocycles and uses thereof | ARIAD PHARMACEUTICALS, INC. (US) | 2007-07-03 | — | — | US | disclosed |
| US-7186826-B2 | Phosphorus-containing compounds and uses thereof | ARIAD GENE THERAPEUTICS, INC. (US) | 2007-03-06 | — | — | US | disclosed |