⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL138410 | 0.89 | PSMB8 (0.31) | — | |
| SCHEMBL19704968 | 0.84 | PSMB8 (0.32) | — | |
| SCHEMBL19727005 | 0.83 | TSHR (0.36) | — | |
| SCHEMBL15308992 | 0.82 | KMT2A (0.33) | — | |
| SCHEMBL18306922 | 0.81 | PSMB8 (0.33) | — | |
| SCHEMBL1700762 | 0.80 | CYP1A2 (0.35) | — | |
| SCHEMBL17734227 | 0.80 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL13252771 | 0.78 | — | — | |
| SCHEMBL1981540 | 0.78 | CYP1A2 (0.42) | — | |
| SCHEMBL16575143 | 0.78 | ALDH1A1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20120077948-A1 | Methods | NORTH CAROLINA STATE UNIVERSITY (US) | 2012-03-29 | — | — | US | disclosed |
| US-20080138797-A1 | Apparatus comprising piezoelectric substrate surface-modified with a binding agent for use in detection of microorganisms | HUNT WILLIAM D | 2008-06-12 | — | — | US | disclosed |