⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10526382 | 1.00 | — | — | |
| Pyrogallol SCHEMBL170157 | 0.77 | ALDH1A1 (1.00) | — | |
| Pyrogallol SCHEMBL3532 | 0.77 | — | — | |
| Pyrogallol SCHEMBL28212338 | 0.75 | ALDH1A1 (0.80) | — | |
| SCHEMBL28526 | 0.75 | — | — | |
| SCHEMBL28525 | 0.75 | — | — | |
| Pyrogallol SCHEMBL11324823 | 0.74 | ALDH1A1 (0.92) | — | |
| Pyrogallol SCHEMBL10986410 | 0.74 | ALDH1A1 (0.92) | — | |
| Pyrogallol SCHEMBL6270291 | 0.74 | ALDH1A1 (0.92) | — | |
| Pyrogallol SCHEMBL442053 | 0.74 | ALDH1A1 (0.92) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0528975-A4 | GROWTH INHIBITORS AND METHODS OF TREATING CANCER AND CELL PROLIFERATIVE DISEASES | — | 1993-09-15 | — | — | EP | claimed |
| EP-0528975-A1 | GROWTH INHIBITORS AND METHODS OF TREATING CANCER AND CELL PROLIFERATIVE DISEASES | BAYLOR COLLEGE OF MEDICINE (US) | 1993-03-03 | — | — | EP | claimed |
| WO-1991017749-A1 | GROWTH INHIBITORS AND METHODS OF TREATING CANCER AND CELL PROLIFERATIVE DISEASES | BAYLOR COLLEGE OF MEDICINE (US) | 1991-11-28 | — | — | WO | claimed |