⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8520894 | 0.83 | HIF1A (0.39) | — | |
| SCHEMBL516168 | 0.83 | — | — | |
| SCHEMBL1229361 | 0.80 | HIF1A (0.37) | — | |
| SCHEMBL550997 | 0.74 | — | — | |
| SCHEMBL14055709 | 0.74 | — | — | |
| SCHEMBL9282902 | 0.74 | — | — | |
| SCHEMBL10627394 | 0.70 | — | — | |
| SCHEMBL875561 | 0.70 | — | — | |
| SCHEMBL20179681 | 0.70 | HIF1A (0.44) | — | |
| SCHEMBL361635 | 0.69 | TSHR (0.41) | — |
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-5371110-A | Ion exchange polymers and method for making | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) | 1994-12-06 | — | — | US | claimed |