⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10577 | 0.96 | — | — | |
| SCHEMBL865687 | 0.96 | — | — | |
| SCHEMBL876374 | 0.96 | ALDH1A1 (0.64) | — | |
| SCHEMBL7626853 | 0.93 | — | — | |
| SCHEMBL7628130 | 0.93 | — | — | |
| SCHEMBL8895144 | 0.93 | — | — | |
| SCHEMBL7629714 | 0.93 | — | — | |
| Methyl Alcohol SCHEMBL10757259 | 0.93 | — | — | |
| SCHEMBL21835093 | 0.93 | — | — | |
| SCHEMBL7625051 | 0.93 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4871537-A | PHEROMONE | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) | 1989-10-03 | — | — | US | disclosed |