⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11889452 | 0.77 | — | — | |
| SCHEMBL23813310 | 0.77 | ALDH1A1 (0.34) | — | |
| SCHEMBL2385629 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL30142886 | 0.74 | — | — | |
| SCHEMBL25608066 | 0.73 | TRPA1 (0.33) | — | |
| SCHEMBL11662737 | 0.71 | — | — | |
| SCHEMBL9195634 | 0.70 | — | — | |
| SCHEMBL23529461 | 0.70 | — | — | |
| SCHEMBL7565303 | 0.70 | — | — | |
| SCHEMBL272858 | 0.69 | TDP1 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2486039-A1 | PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS | Sloan Kettering Institute For Cancer Research (US) | 2012-08-15 | — | — | EP | disclosed |
| WO-2011044394-A1 | PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 2011-04-14 | — | — | WO | disclosed |