⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10002183 | 0.84 | POLB (0.32) | — | |
| SCHEMBL10002178 | 0.80 | — | — | |
| SCHEMBL16298546 | 0.78 | TDP1 (0.41) | — | |
| SCHEMBL10002179 | 0.74 | — | — | |
| SCHEMBL10002186 | 0.69 | — | — | |
| SCHEMBL16298557 | 0.67 | ALDH1A1 (0.48) | — | |
| SCHEMBL10002181 | 0.65 | — | — | |
| SCHEMBL10002187 | 0.65 | — | — | |
| SCHEMBL398357 | 0.64 | CASP1 (0.48) | — | |
| SCHEMBL10002188 | 0.64 | — | — |
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 |