⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7932516 | 0.74 | — | — | |
| SCHEMBL4257927 | 0.71 | ABCC8 (0.49) | — | |
| SCHEMBL4264227 | 0.68 | CA1 (0.35) | — | |
| SCHEMBL4256305 | 0.65 | CA12 (0.44) | — | |
| SCHEMBL7691793 | 0.64 | — | — | |
| SCHEMBL7932691 | 0.64 | — | — | |
| SCHEMBL4736891 | 0.54 | HPGD (0.55) | — | |
| Pentachlorobenzene SCHEMBL27806640 | 0.51 | CYP3A4 (0.69) | — | |
| SCHEMBL15958850 | 0.51 | TRPV4 (0.38) | — | |
| SCHEMBL3695890 | 0.51 | HPGD (0.50) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6232310-B1 | ANTIDIABETIC AGENTS | NOVO NORDISK A/S (DK) | 2001-05-15 | — | — | US | claimed |
| US-6232310-B1 | ANTIDIABETIC AGENTS | NOVO NORDISK A/S (DK) | 2001-05-15 | — | — | US | disclosed |