⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28437592 | 0.80 | — | — | |
| SCHEMBL16668253 | 0.68 | — | — | |
| SCHEMBL30173263 | 0.64 | — | — | |
| Propylamine SCHEMBL5014100 | 0.63 | DNM1 (0.32) | — | |
| SCHEMBL1142680 | 0.61 | THRB (0.42) | — | |
| SCHEMBL1273910 | 0.59 | LCK (0.44) | — | |
| SCHEMBL10709987 | 0.59 | — | — | |
| SCHEMBL578516 | 0.59 | LCK (0.44) | — | |
| SCHEMBL15605732 | 0.59 | CA12 (0.32) | — | |
| SCHEMBL15605797 | 0.59 | ADRB2 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0866786-A1 | BASIC CATALYSTS FOR THE ALDOL REACTION | Novartis AG (CH) | 1998-09-30 | — | — | EP | disclosed |
| WO-1997021659-A1 | BASIC CATALYSTS FOR THE ALDOL REACTION | NOVARTIS AG (CH) | 1997-06-19 | — | — | WO | disclosed |