⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28670275 | 0.76 | CRHBP (0.32) | — | |
| SCHEMBL28363483 | 0.76 | — | — | |
| SCHEMBL29280108 | 0.76 | — | — | |
| SCHEMBL28874540 | 0.76 | ABL1 (0.38) | — | |
| SCHEMBL28851704 | 0.74 | — | — | |
| SCHEMBL28857220 | 0.72 | — | — | |
| SCHEMBL28999748 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL28432953 | 0.69 | MAOA (0.31) | — | |
| SCHEMBL28381602 | 0.69 | MAOA (0.31) | — | |
| SCHEMBL28741713 | 0.69 | MAOA (0.31) | — |
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-2011161065-A1 | MACROCYCLIC TETRAPYRROLIC COMPOUND OF THE FAMILY OF PORPHYRINS, CHLORINS AND BACTERIOCHLORINS AS PHOTOSENSITIZERS FOR PHOTODYNAMIC THERAPY | FUNDAÇÃO PADRE ANTONIO VIEIRA (PT) | 2011-12-29 | — | — | WO | claimed |
| WO-2011161065-A1 | MACROCYCLIC TETRAPYRROLIC COMPOUND OF THE FAMILY OF PORPHYRINS, CHLORINS AND BACTERIOCHLORINS AS PHOTOSENSITIZERS FOR PHOTODYNAMIC THERAPY | FUNDAÇÃO PADRE ANTONIO VIEIRA (PT) | 2011-12-29 | — | — | WO | disclosed |