⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10359790 | 0.98 | — | — | |
| SCHEMBL5963801 | 0.81 | — | — | |
| SCHEMBL18984662 | 0.81 | KDM4E (0.32) | — | |
| SCHEMBL5963598 | 0.77 | SMPD1 (0.31) | — | |
| SCHEMBL20261834 | 0.76 | SMPD1 (0.34) | — | |
| Ammonia Solution, Strong SCHEMBL28622120 | 0.74 | KDM4E (0.32) | — | |
| SCHEMBL17710376 | 0.72 | KDM4E (0.33) | — | |
| SCHEMBL7025433 | 0.72 | KDM4E (0.33) | — | |
| SCHEMBL6156091 | 0.72 | KDM4E (0.33) | — | |
| SCHEMBL25789307 | 0.70 | TSHR (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4478885-A | USING FLUOROCARBON SURFACTANT | W. R. GRACE K.K. (JP) | 1984-10-23 | — | — | US | disclosed |
| EP-0115414-A2 | Treatment of resin based printing plates | W.R. Grace K.K. (JP) | 1984-08-08 | — | — | EP | disclosed |