⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4754321 | 0.68 | MAOA (0.31) | — | |
| SCHEMBL19990168 | 0.67 | LTA4H (0.31) | — | |
| SCHEMBL31097812 | 0.66 | MAOA (0.31) | — | |
| SCHEMBL19990187 | 0.64 | CA1 (0.33) | — | |
| SCHEMBL15811814 | 0.62 | MAOA (0.31) | — | |
| SCHEMBL6360450 | 0.60 | MAOA (0.36) | — | |
| SCHEMBL11170584 | 0.59 | — | — | |
| SCHEMBL9486908 | 0.58 | DPP4 (0.38) | — | |
| SCHEMBL18186083 | 0.57 | — | — | |
| Hydrochloric Acid SCHEMBL9486945 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0065668-B1 | UREA DERIVATIVES, THEIR PREPARATION AND USE | CELAMERCK GmbH & Co. KG (DE) | 1984-12-12 | — | — | EP | disclosed |
| US-4478852-A | FUNGICIDES | CELAMERCK GMBH & CO. KG. (DE) | 1984-10-23 | — | — | US | disclosed |