⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3504811 | 1.00 | — | — | |
| SCHEMBL17253181 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL19642660 | 0.97 | — | — | |
| Trifluoroacetic Acid SCHEMBL26696008 | 0.84 | GRB2 (0.32) | — | |
| Bromide SCHEMBL1086994 | 0.81 | ALOX15 (0.37) | — | |
| SCHEMBL27588313 | 0.79 | ALOX15 (0.35) | — | |
| SCHEMBL29143209 | 0.78 | — | — | |
| SCHEMBL6432607 | 0.77 | — | — | |
| SCHEMBL6546177 | 0.77 | — | — | |
| SCHEMBL288980 | 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 |
|---|---|---|---|---|---|---|---|
| EP-2954934-A1 | Conjugate comprising a neurotensin receptor ligand and use thereof | 3B Pharmaceuticals GmbH (DE) | 2015-12-16 | — | — | EP | disclosed |