⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10657546 | 0.76 | KDM4E (0.35) | — | |
| SCHEMBL5014605 | 0.75 | KDM4E (0.33) | — | |
| SCHEMBL10660476 | 0.74 | KDM4E (0.34) | — | |
| SCHEMBL7120350 | 0.74 | KDM4E (0.34) | — | |
| SCHEMBL10660674 | 0.74 | KDM4E (0.34) | — | |
| SCHEMBL5016150 | 0.66 | KDM4E (0.33) | — | |
| SCHEMBL28650129 | 0.65 | KDM4E (0.35) | — | |
| Ammonia Solution, Strong SCHEMBL11337856 | 0.65 | KDM4E (0.36) | — | |
| Phosphoric Acid SCHEMBL339215 | 0.64 | TSHR (0.33) | — | |
| Phosphoric Acid SCHEMBL15109958 | 0.64 | TSHR (0.33) | — |
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-3817958-A | OIL AND WATER REPELLENT | DU PONT | 1974-06-18 | — | — | US | disclosed |