⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13779931 | 0.73 | — | — | |
| SCHEMBL7872606 | 0.70 | GRM2 (0.47) | — | |
| SCHEMBL144394 | 0.68 | — | — | |
| SCHEMBL10890702 | 0.66 | LMNA (0.32) | — | |
| SCHEMBL5793225 | 0.65 | — | — | |
| SCHEMBL8050725 | 0.64 | NOS3 (0.31) | — | |
| Ammonia Solution, Strong SCHEMBL11637179 | 0.61 | GRIN2D (0.34) | — | |
| SCHEMBL30076326 | 0.61 | — | — | |
| SCHEMBL771852 | 0.61 | — | — | |
| SCHEMBL19524674 | 0.60 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230025301-A1 | Novel Heterocyclic Derivatives with Cardiomyocyte Proliferation Activity for Treatment of Heart Diseases | TONGJI UNIVERSITY (CN) | 2023-01-26 | — | — | US | disclosed |