⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28351395 | 0.80 | MGAM (0.42) | — | |
| SCHEMBL28860910 | 0.80 | ADRA2A (0.46) | — | |
| SCHEMBL5545214 | 0.79 | — | — | |
| SCHEMBL3121478 | 0.79 | GLRA1 (0.39) | — | |
| SCHEMBL8720753 | 0.78 | — | — | |
| SCHEMBL28851066 | 0.78 | MAPT (0.31) | — | |
| SCHEMBL6444916 | 0.77 | GAA (0.46) | — | |
| Hydrochloric Acid SCHEMBL7675200 | 0.76 | HTR2C (0.38) | — | |
| Hydrochloric Acid SCHEMBL7675204 | 0.76 | HTR2C (0.38) | — | |
| SCHEMBL10509960 | 0.76 | — | — |
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-20210289794-A1 | COMPOSITIONS AND RELATED METHODS FOR AGRICULTURE | FLAGSHIP PIONEERING INNOVATIONS V, INC. | 2021-09-23 | — | — | US | disclosed |