⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1091205 | 1.00 | — | — | |
| SCHEMBL703627 | 0.77 | — | — | |
| SCHEMBL12829398 | 0.77 | — | — | |
| SCHEMBL4366160 | 0.77 | ALDH1A1 (0.35) | — | |
| SCHEMBL9323257 | 0.74 | ALDH1A1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL31570720 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL23591143 | 0.72 | — | — | |
| SCHEMBL7601447 | 0.72 | — | — | |
| SCHEMBL21257624 | 0.72 | — | — | |
| SCHEMBL1782441 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5492910-A | AIDS TREATMENT | BRISTOL-MYERS SQUIBB CO. (US) | 1996-02-20 | — | — | US | disclosed |