⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19468142 | 0.76 | PHGDH (0.48) | — | |
| SCHEMBL9725593 | 0.71 | PHGDH (0.31) | — | |
| SCHEMBL19468397 | 0.70 | PHGDH (0.46) | — | |
| SCHEMBL9725606 | 0.70 | — | — | |
| SCHEMBL9725598 | 0.70 | PHGDH (0.39) | — | |
| SCHEMBL9725686 | 0.69 | — | — | |
| SCHEMBL9725633 | 0.68 | PHGDH (0.42) | — | |
| SCHEMBL9725625 | 0.67 | PKM (0.31) | — | |
| SCHEMBL9725647 | 0.66 | — | — | |
| SCHEMBL9725666 | 0.66 | PHGDH (0.31) | — |
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-5171356-A | Thiolcarbamate and nonphytotoxic extender which minimizes soil degradation | ICI AMERICAS INC. (US) | 1992-12-15 | — | — | US | claimed |