⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1421039 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL22575344 | 0.74 | — | — | |
| SCHEMBL20468421 | 0.74 | — | — | |
| SCHEMBL15484688 | 0.73 | ALDH1A1 (0.37) | — | |
| SCHEMBL15484949 | 0.73 | ALDH1A1 (0.37) | — | |
| SCHEMBL10445540 | 0.73 | KMT2A (0.58) | — | |
| SCHEMBL10445541 | 0.73 | KMT2A (0.58) | — | |
| SCHEMBL1204660 | 0.69 | — | — | |
| SCHEMBL15078582 | 0.69 | — | — | |
| SCHEMBL712008 | 0.69 | — | — |
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-3615535-A1 | 9-(2-OXACYCLOALKYL)-9H-PURINE-2,6-DIAMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF SKIN DISORDERS | Univerzita Palackého v Olomouci (CZ) | 2020-03-04 | — | — | EP | disclosed |
| WO-2018196893-A1 | 9-(2-OXACYCLOALKYL)-9H-PURINE-2,6-DIAMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF SKIN DISORDERS | UNIVERZITA PALACKEHO V OLOMOUCI (CZ) | 2018-11-01 | — | — | WO | disclosed |