⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22674661 | 1.00 | — | — | |
| Phosphonic Acid SCHEMBL9802378 | 0.89 | GABRP (0.46) | — | |
| SCHEMBL10411898 | 0.84 | — | — | |
| SCHEMBL19992588 | 0.79 | GABRP (0.31) | — | |
| SCHEMBL8122882 | 0.78 | — | — | |
| SCHEMBL466703 | 0.78 | — | — | |
| SCHEMBL513578 | 0.77 | — | — | |
| SCHEMBL9171031 | 0.77 | — | — | |
| SCHEMBL25095503 | 0.76 | — | — | |
| SCHEMBL12451653 | 0.76 | GABRP (0.48) | — |
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-2010033678-A2 | NOVEL METHOD AND APPLICATION OF UNSYMMETRICALLY MESO-SUBSTITUTED PORPHYRINS AND CHLORINS FOR PDT | CERAMOPTEC INDUSTRIES, INC. (US) | 2010-03-25 | — | — | WO | disclosed |
| US-20100041622-A1 | Compositions containing aminoalkanes and aminoalkane derivatives | VIRUN, INC. | 2010-02-18 | — | — | US | disclosed |