⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12392144 | 0.73 | — | — | |
| SCHEMBL12281998 | 0.67 | NOS3 (0.50) | — | |
| SCHEMBL8459198 | 0.65 | NOS3 (0.30) | — | |
| SCHEMBL14002800 | 0.65 | — | — | |
| SCHEMBL762971 | 0.65 | — | — | |
| SCHEMBL7942881 | 0.63 | — | — | |
| SCHEMBL12946459 | 0.63 | — | — | |
| SCHEMBL23878265 | 0.62 | GSK3B (0.36) | — | |
| SCHEMBL22039435 | 0.62 | GSK3B (0.36) | — | |
| Hydrochloric Acid SCHEMBL19667648 | 0.62 | — | — |
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-20110206613-A1 | METHOD AND APPLICATION OF UNSYMMETRICALLY meso-SUBSTITUTED PORPHYRINS AND CHLORINS FOR PDT | BIOLITEC UNTERNEHMENSBETEILIGUNGS II AG (AT) | 2011-08-25 | — | — | US | disclosed |