⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15719397 | 0.80 | ALDH1A1 (0.41) | — | |
| SCHEMBL14515191 | 0.77 | — | — | |
| SCHEMBL1262344 | 0.77 | — | — | |
| SCHEMBL13993040 | 0.69 | KAT2A (0.31) | — | |
| SCHEMBL12649064 | 0.69 | — | — | |
| SCHEMBL9145957 | 0.67 | — | — | |
| SCHEMBL9143180 | 0.67 | — | — | |
| SCHEMBL9146970 | 0.67 | — | — | |
| SCHEMBL596142 | 0.65 | — | — | |
| SCHEMBL16424246 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160102067-A1 | OXIRAN AMINES | V-BIOTEK HOLDING APS (DK) | 2016-04-14 | — | — | US | disclosed |
| US-20160102067-A1 | OXIRAN AMINES | V-BIOTEK HOLDING APS (DK) | 2016-04-14 | — | — | US | disclosed |