⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13370061 | 0.79 | — | — | |
| SCHEMBL10420715 | 0.75 | — | — | |
| SCHEMBL3755721 | 0.72 | ALDH1A1 (0.35) | — | |
| SCHEMBL26976727 | 0.72 | — | — | |
| SCHEMBL16111959 | 0.72 | METAP1 (0.41) | — | |
| SCHEMBL23865285 | 0.72 | — | — | |
| SCHEMBL23231229 | 0.72 | ALDH1A1 (0.36) | — | |
| SCHEMBL27496530 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL3868041 | 0.70 | — | — | |
| SCHEMBL13788604 | 0.70 | OPRM1 (0.48) | — |
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-20200113850-A1 | SPHINGOID COMPOUNDS FOR PROPHYLAXIS AND/OR THERAPY OF A VIRAL INFECTION | Harbins Ruhr Bioscience, Inc. | 2020-04-16 | — | — | US | disclosed |