⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27939487 | 0.80 | — | — | |
| SCHEMBL7788347 | 0.78 | — | — | |
| SCHEMBL7797106 | 0.78 | — | — | |
| SCHEMBL5053801 | 0.78 | — | — | |
| SCHEMBL4436037 | 0.74 | — | — | |
| SCHEMBL7796989 | 0.73 | — | — | |
| SCHEMBL24025862 | 0.71 | PDE4D (0.31) | — | |
| SCHEMBL14535150 | 0.71 | — | — | |
| SCHEMBL4330603 | 0.71 | — | — | |
| SCHEMBL4326330 | 0.71 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7255835-B2 | Single pass attenuated total reflection fourier transform infrared microscopy apparatus and method for identifying protein secondary structure, surface charge and binding affinity | NORTH CAROLINA STATE UNIVERSITY (US) | 2007-08-14 | — | — | US | disclosed |
| WO-2003085422-A2 | SINGLE PASS ATTENUATED TOTAL REFLECTION INFRARED ANALYSIS IDENTIFYING PROTEIN SECONDARY STRUCTURE, SURFACE CHARGE AND BINDING AFFINITY | NORTH CAROLINA STATE UNIVERSITY (US) | 2003-10-16 | — | — | WO | disclosed |
| US-20030157725-A1 | Single pass attenuated total reflection fourier transform infrared microscopy apparatus and method for identifying protein secondary structure, surface charge and binding affinity | NORTH CAROLINA STATE UNIVERSITY | 2003-08-21 | — | — | US | disclosed |