⚠ 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 SCHEMBL10854198 | 0.98 | — | — | |
| SCHEMBL10187697 | 0.70 | — | — | |
| SCHEMBL26327440 | 0.70 | — | — | |
| SCHEMBL10655148 | 0.69 | — | — | |
| SCHEMBL8636899 | 0.67 | — | — | |
| SCHEMBL1648918 | 0.67 | — | — | |
| SCHEMBL6536997 | 0.67 | — | — | |
| SCHEMBL18492988 | 0.67 | — | — | |
| SCHEMBL20647859 | 0.67 | — | — | |
| SCHEMBL669796 | 0.67 | — | — |
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-4477644-A | Reaction injection molded polyurethanes employing thiapolycyclic polyahls as chain extenders | THE DOW CHEMICAL COMPANY (US) | 1984-10-16 | — | — | US | disclosed |