⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12305774 | 0.97 | — | — | |
| SCHEMBL26568 | 0.97 | — | — | |
| SCHEMBL1331006 | 0.97 | — | — | |
| SCHEMBL12305750 | 0.97 | — | — | |
| Fluoride SCHEMBL28113520 | 0.94 | — | — | |
| Bromomethane SCHEMBL27965557 | 0.94 | — | — | |
| Methane SCHEMBL27731346 | 0.94 | — | — | |
| SCHEMBL27618796 | 0.94 | — | — | |
| Benzene SCHEMBL10509655 | 0.88 | TSHR (0.48) | — | |
| SCHEMBL28834991 | 0.86 | — | — |
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-5639906-A | Fluorescent and NMR sensitive pH indicators | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1997-06-17 | — | — | US | disclosed |