⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7966312 | 1.00 | — | — | |
| SCHEMBL14019548 | 0.74 | — | — | |
| SCHEMBL14018927 | 0.74 | — | — | |
| SCHEMBL8992263 | 0.74 | — | — | |
| SCHEMBL2812909 | 0.72 | — | — | |
| SCHEMBL9483267 | 0.72 | — | — | |
| SCHEMBL993864 | 0.69 | APLNR (0.37) | — | |
| Hydrochloric Acid SCHEMBL6045552 | 0.67 | APLNR (0.35) | — | |
| Hydrochloric Acid SCHEMBL6045667 | 0.67 | APLNR (0.35) | — | |
| SCHEMBL19889456 | 0.63 | — | — |
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-20060211862-A1 | PROCESS FOR THE PREPARATION OF AMINOALCOHOL DERIVATIVES AND THEIR FURTHER CONVERSION TO (1R, 4S)-4(2-AMINO-6-CHLORO-5-FORMAMIDO-4- PYRIMIDINYL)-AMINO-2-CYCLOPENTENYL-1-METHANOL | LONZA INC. (US) | 2006-09-21 | — | — | US | disclosed |