⚠ 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 | |
|---|---|---|---|---|
| Cyclopentene SCHEMBL11338218 | 0.95 | — | — | |
| SCHEMBL3974885 | 0.79 | KMT2A (0.30) | — | |
| SCHEMBL35436 | 0.79 | — | — | |
| SCHEMBL3362303 | 0.78 | — | — | |
| Benzene SCHEMBL649962 | 0.76 | — | — | |
| Propane SCHEMBL3976635 | 0.76 | — | — | |
| SCHEMBL3359535 | 0.76 | — | — | |
| Methane SCHEMBL7159879 | 0.76 | — | — | |
| SCHEMBL20539620 | 0.76 | — | — | |
| Methane SCHEMBL14562663 | 0.76 | — | — |
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-4246103-A | INHIBIT PRECIPITATION OF HARD WATER IONS ESPECIALLY FOR INDUSTRIAL WATER AND SLUDGE | BAYER AKTIENGESELLSCHAFT (DE) | 1981-01-20 | — | — | US | disclosed |