⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25040502 | 1.00 | — | — | |
| SCHEMBL30917712 | 1.00 | — | — | |
| SCHEMBL25040506 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL31385112 | 0.98 | CXCR4 (0.30) | — | |
| Hydrochloric Acid SCHEMBL25287231 | 0.98 | CXCR4 (0.30) | — | |
| SCHEMBL13664827 | 0.95 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL102903 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL1513767 | 0.87 | — | — | |
| Piperidine SCHEMBL28017265 | 0.85 | ALDH1A1 (0.45) | — | |
| SCHEMBL1019673 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023018812-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | AMGEN INC. (US) | 2023-02-16 | — | — | WO | disclosed |