⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14340320 | 0.92 | — | — | |
| SCHEMBL10074547 | 0.76 | — | — | |
| SCHEMBL17179810 | 0.73 | NQO2 (0.32) | — | |
| SCHEMBL12331453 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL17550044 | 0.72 | NQO2 (0.31) | — | |
| SCHEMBL17177682 | 0.71 | TOP1 (0.32) | — | |
| SCHEMBL25395879 | 0.70 | NPC1 (0.47) | — | |
| SCHEMBL25394857 | 0.70 | NPC1 (0.47) | — | |
| SCHEMBL483513 | 0.70 | NPC1 (0.47) | — | |
| SCHEMBL30711822 | 0.67 | TOP1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2849791-B1 | CONJUGATE OF A PHOTOSENSITISER AND CHITOSAN AND USES THEREOF | PCI BIOTECH AS (NO) | 2018-07-04 | — | — | EP | disclosed |