⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29495248 | 0.65 | NUDT1 (0.39) | — | |
| SCHEMBL5376356 | 0.64 | ALDH1A1 (0.32) | — | |
| SCHEMBL3277524 | 0.62 | ALDH1A1 (0.30) | — | |
| SCHEMBL37384 | 0.61 | DPP4 (0.66) | — | |
| SCHEMBL10617985 | 0.61 | PNP (0.48) | — | |
| SCHEMBL218726 | 0.60 | ALDH1A1 (0.54) | — | |
| Hydrochloric Acid SCHEMBL4763244 | 0.60 | DPP4 (0.63) | — | |
| SCHEMBL11456967 | 0.60 | DPP4 (0.63) | — | |
| SCHEMBL11013210 | 0.58 | — | — | |
| SCHEMBL8733589 | 0.58 | ALDH1A1 (0.61) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0916674-B1 | Purine derivatives having cyclopropane ring | SUMIKA FINE CHEMICALS CO LTD (JP) | 2002-05-08 | — | — | EP | disclosed |
| US-6342603-B1 | PREPARING CYCLOPROPANE RING-CLEAVED PURINE DERIVATIVE BY HYDROGENATING PURINE DERIVATIVE HAVING CYCLOPROPANE RING | SUMIKA FINE CHEMICALS CO., LTD. (JP) | 2002-01-29 | — | — | US | disclosed |
| US-6156892-A | Purine derivatives having cyclopropane ring | SUMIKA FIRE CHEMICALS CO., LTD. (JP) | 2000-12-05 | — | — | US | disclosed |
| EP-0916674-A1 | Purine derivatives having cyclopropane ring | SUMIKA FINE CHEMICALS Co., Ltd. (JP) | 1999-05-19 | — | — | EP | disclosed |