⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL316537 | 0.74 | CA1 (0.40) | — | |
| SCHEMBL4189418 | 0.73 | CHRM2 (0.32) | — | |
| Ammonia Solution, Strong SCHEMBL21722305 | 0.70 | CA1 (0.36) | — | |
| Methane SCHEMBL6243327 | 0.70 | CA1 (0.36) | — | |
| SCHEMBL8642402 | 0.67 | TDP1 (0.38) | — | |
| SCHEMBL10907087 | 0.65 | NPC1 (0.30) | — | |
| Acetic Acid SCHEMBL31372161 | 0.64 | FFAR3 (0.58) | — | |
| SCHEMBL52024 | 0.61 | — | — | |
| SCHEMBL8426644 | 0.61 | FFAR3 (0.43) | — | |
| SCHEMBL11523090 | 0.61 | ACHE (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011005980-A1 | NOVEL HETEROBIFUNCTIONAL POLYETHYLENE GLYCOL REAGENTS, THEIR PREPARATION AND USES THEREOF | INTRADIGM CORPORATION (US) | 2011-01-13 | — | — | WO | disclosed |