⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11856927 | 0.78 | — | — | |
| SCHEMBL16479200 | 0.76 | HTR1A (0.34) | — | |
| SCHEMBL23813759 | 0.76 | — | — | |
| SCHEMBL9422548 | 0.76 | — | — | |
| SCHEMBL23638694 | 0.73 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL25448178 | 0.73 | CYP2D6 (0.40) | — | |
| SCHEMBL24220954 | 0.73 | CYP2D6 (0.40) | — | |
| SCHEMBL2933753 | 0.73 | HTR1A (0.32) | — | |
| SCHEMBL6726397 | 0.71 | — | — | |
| SCHEMBL14037208 | 0.71 | CYP2C19 (0.42) | — |
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-9295730-B2 | Conjugated molecules comprising a peptide derived from the CD4 receptor coupled to a polyanion for the treatment of AIDS | INSTITUT PASTEUR (FR) | 2016-03-29 | — | — | US | disclosed |