⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19278967 | 0.92 | DHODH (0.31) | — | |
| SCHEMBL19289821 | 0.86 | DHODH (0.30) | — | |
| SCHEMBL19289581 | 0.84 | — | — | |
| SCHEMBL19289936 | 0.84 | — | — | |
| SCHEMBL19296931 | 0.80 | ABCG2 (0.36) | — | |
| SCHEMBL19289551 | 0.79 | DHODH (0.33) | — | |
| SCHEMBL31310006 | 0.78 | DHODH (0.33) | — | |
| SCHEMBL19278958 | 0.78 | DHODH (0.33) | — | |
| SCHEMBL19289800 | 0.78 | — | — | |
| SCHEMBL19293923 | 0.78 | DHODH (0.35) | — |
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-3210626-A1 | CONJUGATES OF PORPHYRINOID PHOTOSENSITIZERS AND GLYCEROL-BASED POLYMERS FOR PHOTODYNAMIC THERAPY | biolitec Unternehmensbeteiligungs II AG (AT) | 2017-08-30 | — | — | EP | disclosed |