⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6679099 | 0.65 | — | — | |
| SCHEMBL2441614 | 0.59 | — | — | |
| SCHEMBL7128691 | 0.57 | GAA (0.61) | — | |
| SCHEMBL29414131 | 0.56 | AKR1B1 (0.39) | — | |
| SCHEMBL29733309 | 0.56 | CYP1A2 (0.46) | — | |
| SCHEMBL69614 | 0.56 | CA2 (0.79) | — | |
| SCHEMBL29048386 | 0.56 | AKR1B1 (0.52) | — | |
| SCHEMBL583915 | 0.56 | AKR1B1 (0.60) | — | |
| SCHEMBL7122558 | 0.56 | CYP1A2 (0.67) | — | |
| SCHEMBL2642144 | 0.55 | CA2 (0.65) | — |
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-6080743-A | AS CHEMICAL INTERMEIDATES FOR PREPARING DRUGS | NOVARTIS AG (CH) | 2000-06-27 | — | — | US | disclosed |