⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7750282 | 0.75 | — | — | |
| SCHEMBL1441283 | 0.72 | — | — | |
| SCHEMBL3394020 | 0.69 | — | — | |
| SCHEMBL5308066 | 0.69 | — | — | |
| SCHEMBL821171 | 0.67 | — | — | |
| SCHEMBL20006 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL4667235 | 0.67 | — | — | |
| SCHEMBL9335108 | 0.67 | — | — | |
| SCHEMBL26114371 | 0.67 | — | — | |
| SCHEMBL196934 | 0.65 | — | — |
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-8921508-B2 | Polycarbonate polyol compositions and methods | NOVOMER, INC. (US) | 2014-12-30 | — | — | US | disclosed |