⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20885382 | 0.70 | — | — | |
| SCHEMBL1986587 | 0.70 | — | — | |
| SCHEMBL918423 | 0.70 | — | — | |
| SCHEMBL5315296 | 0.70 | — | — | |
| SCHEMBL12693922 | 0.70 | — | — | |
| SCHEMBL8397867 | 0.70 | — | — | |
| SCHEMBL919096 | 0.70 | — | — | |
| SCHEMBL3491651 | 0.67 | NPC1 (0.39) | — | |
| SCHEMBL11214773 | 0.65 | — | — | |
| SCHEMBL9004416 | 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-7968734-B2 | Organocatalysts and methods of use in chemical synthesis | STC.UNM (US) | 2011-06-28 | — | — | US | disclosed |