⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10964283 | 0.75 | — | — | |
| Trimethylammonium SCHEMBL27999012 | 0.73 | — | — | |
| SCHEMBL8854409 | 0.72 | — | — | |
| SCHEMBL28223899 | 0.72 | — | — | |
| SCHEMBL8973173 | 0.72 | — | — | |
| SCHEMBL15341 | 0.71 | — | — | |
| SCHEMBL24432 | 0.71 | — | — | |
| SCHEMBL27566307 | 0.71 | — | — | |
| SCHEMBL59124 | 0.70 | — | — | |
| SCHEMBL8082946 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1347932-A | Porous material | CYPRI INC (US) | 2002-05-08 | — | — | CN | claimed |
| CN-1347932-A | Porous material | CYPRI INC (US) | 2002-05-08 | — | — | CN | disclosed |