⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16469683 | 0.94 | ALDH1A1 (0.37) | — | |
| SCHEMBL12311052 | 0.87 | — | — | |
| SCHEMBL3640514 | 0.81 | — | — | |
| SCHEMBL5522 | 0.77 | — | — | |
| SCHEMBL28449354 | 0.76 | — | — | |
| SCHEMBL15557843 | 0.74 | CA2 (0.34) | — | |
| SCHEMBL5417717 | 0.74 | CA2 (0.34) | — | |
| SCHEMBL23295171 | 0.73 | — | — | |
| SCHEMBL31395027 | 0.73 | — | — | |
| Water SCHEMBL28124261 | 0.73 | — | — |
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-20120323164-A1 | PHOTODYNAMIC THERAPY WITH PHTHALOCYANINES AND RADICAL SOURCES | CASE WESTERN RESERVE UNIVERSITY (US) | 2012-12-20 | — | — | US | disclosed |