⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1752650 | 0.64 | CHRNB2 (0.33) | — | |
| SCHEMBL17090769 | 0.61 | — | — | |
| SCHEMBL1782998 | 0.55 | CHRNB2 (0.32) | — | |
| SCHEMBL7877977 | 0.55 | — | — | |
| SCHEMBL16120935 | 0.55 | — | — | |
| SCHEMBL161377 | 0.54 | — | — | |
| SCHEMBL30233709 | 0.54 | — | — | |
| SCHEMBL6406381 | 0.54 | CHRNB2 (0.33) | — | |
| Hydrochloric Acid SCHEMBL11301415 | 0.53 | CHKA (0.30) | — | |
| SCHEMBL1127085 | 0.51 | — | — |
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-5101026-A | GANGLIOSIDE RELATED COMPOUNDS AND METHOD OF PRODUCING THE SAME | MECT CORPORATION (JP) | 1992-03-31 | — | — | US | claimed |