⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9536900 | 0.71 | — | — | |
| SCHEMBL10098870 | 0.68 | NTRK1 (0.34) | — | |
| SCHEMBL15415726 | 0.65 | — | — | |
| SCHEMBL9536542 | 0.64 | — | — | |
| SCHEMBL19985086 | 0.63 | CA1 (0.36) | — | |
| SCHEMBL10238797 | 0.63 | DRD2 (0.40) | — | |
| SCHEMBL558217 | 0.61 | — | — | |
| SCHEMBL9538349 | 0.61 | — | — | |
| SCHEMBL10054051 | 0.60 | CYP19A1 (0.43) | — | |
| SCHEMBL6845116 | 0.60 | DRD2 (0.38) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0337944-B1 | UREAS | CIBA-GEIGY AG (CH) | 1993-07-28 | — | — | EP | disclosed |
| US-4973690-A | PYRIMIDIN-2-YL UREAS, HERBICICES, PLANT GROWTH REGULATORS | CIBA-GEIGY CORPORATION (US) | 1990-11-27 | — | — | US | disclosed |
| EP-0337944-A1 | Ureas | CIBA-GEIGY AG (CH) | 1989-10-18 | — | — | EP | disclosed |