⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL829536 | 0.92 | — | — | |
| SCHEMBL28946060 | 0.89 | — | — | |
| SCHEMBL28946007 | 0.89 | — | — | |
| SCHEMBL9435795 | 0.89 | — | — | |
| SCHEMBL28969653 | 0.89 | — | — | |
| SCHEMBL28005231 | 0.89 | — | — | |
| Tetramethylammonium Ion SCHEMBL11244940 | 0.76 | CHRNB2 (0.31) | — | |
| SCHEMBL3974885 | 0.76 | KMT2A (0.30) | — | |
| SCHEMBL35436 | 0.76 | — | — | |
| SCHEMBL3359535 | 0.74 | — | — |
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-4318783-A | Process for the preparation of optionally substituted benzaldehyde dialkyl acetals | BAYER AKTIENGESELLSCHAFT (DE) | 1982-03-09 | — | — | US | disclosed |