⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18300700 | 0.76 | NOTUM (0.31) | — | |
| SCHEMBL9423553 | 0.74 | — | — | |
| SCHEMBL27516959 | 0.71 | — | — | |
| SCHEMBL6672431 | 0.68 | — | — | |
| SCHEMBL11374758 | 0.65 | — | — | |
| Propanol SCHEMBL27474763 | 0.65 | HCAR3 (0.30) | — | |
| SCHEMBL28629069 | 0.65 | — | — | |
| SCHEMBL28664946 | 0.65 | — | — | |
| Propylamine SCHEMBL27966821 | 0.64 | — | — | |
| SCHEMBL4536565 | 0.61 | TSHR (0.31) | — |
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-5194519-A | Benzobisimidazoles or benzothiazoles in polyether ketone or ether ether ketone polymers | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) | 1993-03-16 | — | — | US | disclosed |