⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15958733 | 1.00 | EPHX1 (0.48) | — | |
| SCHEMBL15783012 | 1.00 | EPHX1 (0.48) | — | |
| SCHEMBL581761 | 1.00 | EPHX1 (0.48) | — | |
| SCHEMBL30940407 | 1.00 | EPHX1 (0.48) | — | |
| Hydrochloric Acid SCHEMBL28195484 | 0.97 | EPHX1 (0.46) | — | |
| SCHEMBL14375478 | 0.97 | — | — | |
| SCHEMBL15203074 | 0.89 | — | — | |
| SCHEMBL15782745 | 0.86 | — | — | |
| SCHEMBL17399199 | 0.86 | — | — | |
| SCHEMBL14756265 | 0.77 | — | — |
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-9227917-B2 | Amine-containing lipidoids and uses thereof | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2016-01-05 | — | — | US | disclosed |