⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6665756 | 0.78 | — | — | |
| SCHEMBL27575253 | 0.76 | HSD17B10 (0.32) | — | |
| SCHEMBL28196336 | 0.76 | HSD17B10 (0.32) | — | |
| SCHEMBL4633777 | 0.76 | HSD17B10 (0.32) | — | |
| SCHEMBL4392155 | 0.74 | HSD17B10 (0.31) | — | |
| SCHEMBL27914071 | 0.71 | — | — | |
| SCHEMBL4390967 | 0.70 | — | — | |
| SCHEMBL10416942 | 0.70 | — | — | |
| SCHEMBL2500017 | 0.70 | — | — | |
| SCHEMBL531227 | 0.69 | LMNA (0.53) | — |
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-4165247-A | POLYETHERURETHANE COPOLYMERS | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 1979-08-21 | — | — | US | disclosed |