⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7268045 | 0.76 | — | — | |
| SCHEMBL19180779 | 0.75 | — | — | |
| SCHEMBL9764324 | 0.69 | PTPRC (0.35) | — | |
| SCHEMBL3076219 | 0.68 | — | — | |
| SCHEMBL473159 | 0.66 | MAOA (0.32) | — | |
| SCHEMBL1998705 | 0.65 | ALDH1A1 (0.35) | — | |
| SCHEMBL10423763 | 0.65 | ALDH1A1 (0.36) | — | |
| Hydrochloric Acid SCHEMBL5150609 | 0.65 | KDM4E (0.30) | — | |
| SCHEMBL1275382 | 0.65 | MAOA (0.31) | — | |
| SCHEMBL6033614 | 0.65 | PTPN1 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014208407-A1 | FACILE SYNTHESIS OF METALLOPORPHYRIN POLYMERS | SHARP KABUSHIKI KAISHA (JP) | 2014-12-31 | — | — | WO | disclosed |