⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17165778 | 0.87 | TSHR (0.63) | — | |
| SCHEMBL9633939 | 0.83 | ALDH1A1 (0.63) | — | |
| SCHEMBL28236769 | 0.80 | TSHR (0.50) | — | |
| SCHEMBL2879345 | 0.79 | TSHR (0.52) | — | |
| SCHEMBL10691044 | 0.79 | TSHR (0.52) | — | |
| SCHEMBL1619699 | 0.79 | NR1I2 (0.52) | — | |
| SCHEMBL15314327 | 0.79 | TSHR (0.52) | — | |
| SCHEMBL2401513 | 0.77 | TSHR (0.63) | — | |
| SCHEMBL9188658 | 0.77 | TSHR (0.63) | — | |
| SCHEMBL2401509 | 0.77 | TSHR (0.63) | — |
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-7928222-B2 | Porphyrin compound, process for producing porphyrin compound, three-dimensional optical recording material, and three-dimensional optical recording medium | National University Corporation NARA Institute of Science and Technology (JP) | 2011-04-19 | — | — | US | disclosed |
| US-20070224529-A1 | Porphyrin compound, process for producing porphyrin compound, three-dimensional optical recording material, and three-dimensional optical recording medium | National University Corporation NARA Institute of Science and Technology (JP) | 2007-09-27 | — | — | US | disclosed |