⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1699 | 1.00 | — | — | |
| SCHEMBL29496911 | 1.00 | — | — | |
| SCHEMBL29569031 | 0.98 | ALDH1A1 (0.63) | — | |
| SCHEMBL28981715 | 0.98 | ALDH1A1 (0.63) | — | |
| Bromide SCHEMBL27731363 | 0.98 | ALDH1A1 (0.63) | — | |
| Hydrochloric Acid SCHEMBL4897791 | 0.98 | ALDH1A1 (0.63) | — | |
| Iodide SCHEMBL10528928 | 0.98 | ALDH1A1 (0.63) | — | |
| Pyridine SCHEMBL20583617 | 0.94 | ALDH1A1 (0.64) | — | |
| SCHEMBL6641838 | 0.94 | ALDH1A1 (0.59) | — | |
| Hydrochloric Acid SCHEMBL5075062 | 0.94 | ALDH1A1 (0.59) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000077027-A2 | SERINE PROTEASE INHIBITORS | TULARIK LIMITED (GB) | 2000-12-21 | — | — | WO | disclosed |