⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11292883 | 0.91 | CYP1A2 (0.32) | — | |
| SCHEMBL11289145 | 0.91 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL11292674 | 0.89 | HDAC6 (0.34) | — | |
| SCHEMBL11274383 | 0.87 | RAB9A (0.33) | — | |
| SCHEMBL11290011 | 0.86 | MLYCD (0.33) | — | |
| SCHEMBL11482712 | 0.86 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL11290591 | 0.84 | TP53 (0.33) | — | |
| SCHEMBL11290058 | 0.83 | HDAC3 (0.31) | — | |
| SCHEMBL11295914 | 0.82 | — | — | |
| SCHEMBL11491705 | 0.82 | ALDH1A1 (0.31) | — |
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-0014167-A1 | Aniline derivatives with antifungal activity and process for their preparation | RHONE-POULENC AGROCHIMIE (FR) | 1980-08-06 | — | — | EP | disclosed |