⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11770911 | 0.74 | — | — | |
| SCHEMBL10493620 | 0.71 | — | — | |
| SCHEMBL3113108 | 0.71 | — | — | |
| SCHEMBL2105534 | 0.71 | — | — | |
| SCHEMBL29283628 | 0.69 | — | — | |
| Ammonia Solution, Strong SCHEMBL3286548 | 0.68 | — | — | |
| SCHEMBL5694210 | 0.64 | — | — | |
| SCHEMBL18579910 | 0.64 | — | — | |
| SCHEMBL11773411 | 0.64 | MAOB (0.31) | — | |
| SCHEMBL1454203 | 0.62 | — | — |
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-7078226-B1 | Method for producing optically active amines | BASF AKTIENGESELLSCHAFT (DE) | 2006-07-18 | — | — | US | disclosed |
| WO-1999006062-A1 | CYCLIC PEPTIDE ANTIFUNGAL AGENTS | ELI LILLY AND COMPANY (US) | 1999-02-11 | — | — | WO | disclosed |