⚠ 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 | |
|---|---|---|---|---|
| Pyridine SCHEMBL2471872 | 0.83 | TSHR (0.64) | — | |
| Pyridine SCHEMBL366216 | 0.83 | TDP1 (0.64) | — | |
| Pyridine SCHEMBL4592912 | 0.83 | TSHR (0.64) | — | |
| Pyridine SCHEMBL28067297 | 0.82 | NAPRT (0.90) | — | |
| Pyridine SCHEMBL6532110 | 0.82 | — | — | |
| Pyridine SCHEMBL8610477 | 0.80 | TSHR (0.60) | — | |
| Pyridine SCHEMBL567569 | 0.80 | — | — | |
| Pyridine SCHEMBL180736 | 0.80 | — | — | |
| Pyridine SCHEMBL28757618 | 0.80 | TSHR (0.60) | — | |
| Pyridine SCHEMBL8984834 | 0.80 | — | — |
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-2004089357-A2 | ANTI-FUNGAL FORMULATION OF TRITERPENE AND ESSENTIAL OIL | REGENTS OF THE UNIVERSITY OF MINNESOTA (US) | 2004-10-21 | — | — | WO | disclosed |