⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28838205 | 0.85 | CES1 (0.59) | — | |
| SCHEMBL28838211 | 0.80 | — | — | |
| SCHEMBL7530726 | 0.79 | CES2 (0.55) | — | |
| SCHEMBL28442996 | 0.78 | CES2 (0.61) | — | |
| SCHEMBL992042 | 0.76 | — | — | |
| SCHEMBL16060357 | 0.76 | — | — | |
| SCHEMBL10999262 | 0.74 | — | — | |
| SCHEMBL71305 | 0.74 | — | — | |
| SCHEMBL27850813 | 0.74 | — | — | |
| SCHEMBL7740070 | 0.74 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114890932-A | First total synthesis process of indole alkaloid Luteoride A | 大理大学 | 2022-08-12 | — | — | CN | claimed |
| CN-114890932-A | First total synthesis process of indole alkaloid Luteoride A | 大理大学 | 2022-08-12 | — | — | CN | disclosed |
| US-4560690-A | ANTISECRETORY AGENTS, HISTAMINE H2-ANTAGONISTS | PFIZER INC. (US) | 1985-12-24 | — | — | US | disclosed |