⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20128363 | 0.85 | — | — | |
| SCHEMBL20128364 | 0.85 | NOS3 (0.33) | — | |
| SCHEMBL20128356 | 0.73 | — | — | |
| SCHEMBL20128355 | 0.73 | — | — | |
| SCHEMBL11207176 | 0.67 | NPSR1 (0.35) | — | |
| SCHEMBL20128366 | 0.67 | FFAR4 (0.37) | — | |
| SCHEMBL20128347 | 0.65 | CA2 (0.41) | — | |
| SCHEMBL27540125 | 0.64 | PRKCI (0.32) | — | |
| SCHEMBL30369685 | 0.64 | NPSR1 (0.44) | — | |
| SCHEMBL597339 | 0.64 | NPSR1 (0.44) | — |
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-20180127597-A1 | MOLD RESISTANT FORMABLE CORK | THE BOEING COMPANY (US) | 2018-05-10 | — | — | US | disclosed |