⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10933619 | 0.74 | CA12 (0.32) | — | |
| SCHEMBL10933899 | 0.74 | — | — | |
| SCHEMBL10937027 | 0.74 | ALDH1A2 (0.36) | — | |
| SCHEMBL30073413 | 0.72 | DPP4 (0.41) | — | |
| SCHEMBL10935486 | 0.68 | ANPEP (0.33) | — | |
| SCHEMBL10934858 | 0.67 | — | — | |
| SCHEMBL10935042 | 0.67 | — | — | |
| SCHEMBL10934404 | 0.65 | — | — | |
| SCHEMBL7940035 | 0.65 | — | — | |
| SCHEMBL7940033 | 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-4518413-A | Poly-phosphorodiamide urease inhibitors and urease inhibited urea based fertilizer compositions | ALLIED CORPORATION (US) | 1985-05-21 | — | — | US | disclosed |