⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11422139 | 1.00 | — | — | |
| SCHEMBL8743229 | 0.92 | — | — | |
| SCHEMBL4053109 | 0.92 | — | — | |
| SCHEMBL8743237 | 0.92 | — | — | |
| SCHEMBL9436371 | 0.90 | FAAH (0.48) | — | |
| SCHEMBL5143829 | 0.90 | FAAH (0.48) | — | |
| Undecane SCHEMBL9436372 | 0.90 | FAAH (0.48) | — | |
| SCHEMBL10689663 | 0.90 | FAAH (0.48) | — | |
| SCHEMBL17965707 | 0.90 | FAAH (0.48) | — | |
| SCHEMBL17965705 | 0.90 | FAAH (0.48) | — |
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-117059160-A | Method for screening plant active substances for inhibiting methane generation of ruminants and application thereof | 南京农业大学 | 2023-11-14 | — | — | CN | disclosed |
| US-4197245-A | 1-Hydroxymethyl-1-oxo-prostane derivatives of the A1 series | AMERICAN CYANAMID COMPANY (US) | 1980-04-08 | — | — | US | disclosed |