⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16011652 | 0.87 | — | — | |
| SCHEMBL6245375 | 0.74 | — | — | |
| SCHEMBL6242709 | 0.72 | — | — | |
| SCHEMBL3287043 | 0.68 | — | — | |
| SCHEMBL17222192 | 0.67 | — | — | |
| SCHEMBL3190937 | 0.62 | — | — | |
| SCHEMBL9641187 | 0.62 | — | — | |
| SCHEMBL8187549 | 0.62 | — | — | |
| SCHEMBL18992186 | 0.58 | — | — | |
| SCHEMBL8216286 | 0.57 | CYP2A6 (0.37) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009152453-A2 | COMPOSITIONS AND METHODS FOR TREATING PULMONARY HYPERTENSION | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2009-12-17 | — | — | WO | claimed |
| WO-2009152453-A2 | COMPOSITIONS AND METHODS FOR TREATING PULMONARY HYPERTENSION | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2009-12-17 | — | — | WO | disclosed |