⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16015725 | 0.81 | CA1 (0.52) | — | |
| SCHEMBL9682044 | 0.75 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL15463081 | 0.73 | — | — | |
| SCHEMBL5872439 | 0.73 | MEN1 (0.35) | — | |
| SCHEMBL14380333 | 0.73 | TDP1 (0.39) | — | |
| SCHEMBL8241145 | 0.69 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL475392 | 0.69 | — | — | |
| SCHEMBL10312295 | 0.69 | PER2 (0.45) | — | |
| SCHEMBL16261608 | 0.68 | CA1 (0.50) | — | |
| SCHEMBL27536481 | 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-20180142122-A1 | TWO-PART POLYURETHANE EROSION RESISTANT COATINGS | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2018-05-24 | — | — | US | disclosed |