⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10002184 | 0.85 | — | — | |
| SCHEMBL10002187 | 0.75 | — | — | |
| SCHEMBL10002185 | 0.68 | — | — | |
| SCHEMBL14070037 | 0.60 | TAAR1 (0.47) | — | |
| SCHEMBL10256123 | 0.59 | PDE2A (0.41) | — | |
| SCHEMBL18622662 | 0.58 | KAT2B (0.47) | — | |
| SCHEMBL10813080 | 0.58 | GUCY1A1 (0.50) | — | |
| SCHEMBL10002183 | 0.57 | POLB (0.32) | — | |
| SCHEMBL6954997 | 0.57 | MAPT (0.75) | — | |
| SCHEMBL24671122 | 0.56 | ALDH1A1 (0.45) | — |
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-20120016146-A1 | POROUS CRYSTAL COMPRISING AMMONIA BORANE AND A PRODUCTION METHOD THEREFOR | INSILICOTECH CO., LTD (KR) | 2012-01-19 | — | — | US | disclosed |