⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3899844 | 0.81 | — | — | |
| SCHEMBL1562370 | 0.74 | — | — | |
| SCHEMBL9334087 | 0.73 | — | — | |
| SCHEMBL9622170 | 0.72 | — | — | |
| SCHEMBL1315979 | 0.72 | — | — | |
| SCHEMBL10569665 | 0.69 | — | — | |
| SCHEMBL2861321 | 0.69 | — | — | |
| SCHEMBL15733603 | 0.67 | — | — | |
| SCHEMBL3742134 | 0.65 | PPM1B (0.34) | — | |
| SCHEMBL8236493 | 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-5164470-A | Polymer compositions | SHELL OIL COMPANY (US) | 1992-11-17 | — | — | US | disclosed |