⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1745742 | 1.00 | — | — | |
| SCHEMBL11408181 | 1.00 | — | — | |
| SCHEMBL8348724 | 1.00 | — | — | |
| SCHEMBL18230600 | 1.00 | — | — | |
| SCHEMBL16600392 | 0.95 | AKR1B1 (0.55) | — | |
| Phosphoric Acid SCHEMBL11205692 | 0.93 | AKR1B1 (0.52) | — | |
| Glycerin SCHEMBL18341377 | 0.80 | AKR1B1 (0.82) | — | |
| Glycerin SCHEMBL20741155 | 0.80 | AKR1B1 (0.82) | — | |
| Glycerin SCHEMBL18341378 | 0.80 | AKR1B1 (0.82) | — | |
| SCHEMBL23839827 | 0.79 | AKR1B1 (0.48) | — |
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-20230242585-A1 | IMMUNOMODULATORS | BRISTOL MYERS SQUIBB CO (US) | 2023-08-03 | — | — | US | disclosed |