⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24816239 | 0.78 | — | — | |
| SCHEMBL28103152 | 0.76 | — | — | |
| SCHEMBL28279048 | 0.76 | — | — | |
| SCHEMBL22520015 | 0.73 | POLB (0.31) | — | |
| SCHEMBL22519854 | 0.73 | HTR2A (0.30) | — | |
| SCHEMBL27550673 | 0.70 | NOS2 (0.30) | — | |
| SCHEMBL27545251 | 0.70 | NOS2 (0.30) | — | |
| SCHEMBL21406445 | 0.69 | — | — | |
| SCHEMBL24500941 | 0.67 | — | — | |
| SCHEMBL21287715 | 0.67 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-57088173-A | — | — | None | — | — | JP | disclosed |
| US-20100069244-A1 | Pyridine Compounds for Combating Pests | BASF SE (DE) | 2010-03-18 | — | — | US | disclosed |
| JP-S5788173-A | PREPARATION OF MEFRUSIDE | SAKAI YAKUHIN KK | 1982-06-01 | — | — | JP | disclosed |