⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL8078616 | 1.00 | CA1 (0.36) | — | |
| Ammonia Solution, Strong SCHEMBL8069132 | 1.00 | CA1 (0.36) | — | |
| Ammonia Solution, Strong SCHEMBL8078467 | 1.00 | CA1 (0.36) | — | |
| Ammonia Solution, Strong SCHEMBL8076692 | 1.00 | CA1 (0.36) | — | |
| Hydrochloric Acid SCHEMBL15795339 | 0.97 | CA1 (0.35) | — | |
| Ammonia Solution, Strong SCHEMBL8078551 | 0.97 | — | — | |
| SCHEMBL566961 | 0.97 | — | — | |
| SCHEMBL40788 | 0.97 | — | — | |
| SCHEMBL21237759 | 0.97 | CA1 (0.38) | — | |
| SCHEMBL607695 | 0.97 | CA1 (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-0846679-B1 | Process for preparing 1,3-disubstituted urea | SUMIKA FINE CHEMICALS CO LTD (JP) | 2000-09-06 | — | — | EP | disclosed |
| US-5902899-A | Process for preparing 1, 3-disubstituted urea | SUMIKA FINE CHEMICALS CO., LTD. (JP) | 1999-05-11 | — | — | US | disclosed |
| EP-0846679-A2 | Process for preparing 1,3-disubstituted urea | SUMIKA FINE CHEMICALS Co., Ltd. (JP) | 1998-06-10 | — | — | EP | disclosed |