⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8384731 | 1.00 | — | — | |
| SCHEMBL12549579 | 0.80 | — | — | |
| SCHEMBL18959708 | 0.80 | ALDH1A1 (0.42) | — | |
| SCHEMBL1873757 | 0.80 | — | — | |
| SCHEMBL1298522 | 0.79 | — | — | |
| SCHEMBL10576751 | 0.78 | — | — | |
| SCHEMBL8384700 | 0.78 | TDP1 (0.41) | — | |
| SCHEMBL7052237 | 0.78 | — | — | |
| SCHEMBL10033522 | 0.78 | TSHR (0.36) | — | |
| SCHEMBL19821932 | 0.78 | ALDH1A1 (0.32) | — |
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-2014202027-A1 | SPIROCYCLIC DERIVATIVE OF 4,5-DIHYDROPYRAZOLO[3,4-C]PYRIDINE-2-ONE, PREPARATION METHOD AND USE THEREOF | 四川海思科制药有限公司 (CN) | 2014-12-24 | — | — | WO | disclosed |
| WO-2014169845-A2 | 4,5-DIHYDRO-PYRAZOLO [3, 4-C] PYRID-2-ONES, PREPARATION METHOD AND APPLICATION THEREOF | 四川海思科制药有限公司 (CN) | 2014-10-23 | — | — | WO | disclosed |