⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11651012 | 0.86 | FDPS (0.34) | — | |
| SCHEMBL6900304 | 0.82 | — | — | |
| SCHEMBL28388451 | 0.78 | ALDH1A1 (0.37) | — | |
| SCHEMBL394131 | 0.78 | ALDH1A1 (0.37) | — | |
| SCHEMBL6901849 | 0.78 | MEN1 (0.33) | — | |
| SCHEMBL28531022 | 0.74 | FDPS (0.32) | — | |
| SCHEMBL3028472 | 0.72 | FDPS (0.32) | — | |
| SCHEMBL28379125 | 0.72 | — | — | |
| SCHEMBL932689 | 0.72 | — | — | |
| SCHEMBL551834 | 0.71 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4170482-A | Jet printing ink composition containing an acetylenic compound and a lactone | M & T CHEMICALS INC. (US) | 1979-10-09 | — | — | US | disclosed |
| US-4111917-A | POLYURETHANES | W. R. GRACE & CO. (US) | 1978-09-05 | — | — | US | disclosed |