⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1922324 | 0.78 | — | — | |
| SCHEMBL15128301 | 0.78 | — | — | |
| SCHEMBL17969922 | 0.73 | — | — | |
| SCHEMBL18266330 | 0.72 | — | — | |
| SCHEMBL16645311 | 0.69 | — | — | |
| SCHEMBL1496748 | 0.67 | — | — | |
| SCHEMBL5827 | 0.67 | — | — | |
| SCHEMBL641946 | 0.67 | — | — | |
| SCHEMBL17158347 | 0.64 | ALDH1A1 (0.33) | — | |
| SCHEMBL8171029 | 0.64 | ALDH1A1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011090935-A1 | PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2011-07-28 | — | — | WO | disclosed |
| EP-1925622-A1 | PHOSPHORUS COMPOUND, USE THEREOF AND FLAME-RETARDANT POLYESTER FIBER | DAIHACHI CHEMICAL INDUSTRY CO., LTD. (JP) | 2008-05-28 | — | — | EP | disclosed |