⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31034335 | 0.81 | CYP2C19 (0.56) | — | |
| SCHEMBL15075 | 0.80 | — | — | |
| SCHEMBL19601203 | 0.79 | — | — | |
| SCHEMBL341302 | 0.79 | — | — | |
| SCHEMBL2125457 | 0.77 | CYP2C19 (0.65) | — | |
| SCHEMBL20353365 | 0.77 | — | — | |
| SCHEMBL3421559 | 0.77 | CARM1 (0.48) | — | |
| SCHEMBL18942075 | 0.77 | CA12 (0.35) | — | |
| SCHEMBL31034365 | 0.76 | CHRM2 (0.53) | — | |
| SCHEMBL1262347 | 0.76 | CHRM2 (0.53) | — |
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 |