⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24340641 | 0.85 | — | — | |
| SCHEMBL11537652 | 0.82 | MEN1 (0.31) | — | |
| SCHEMBL11531750 | 0.82 | PTGFR (0.31) | — | |
| SCHEMBL11657475 | 0.82 | — | — | |
| SCHEMBL11512271 | 0.81 | ALDH1A1 (0.34) | — | |
| SCHEMBL11512185 | 0.81 | ALDH1A1 (0.34) | — | |
| SCHEMBL11512188 | 0.81 | ALDH1A1 (0.34) | — | |
| SCHEMBL11614767 | 0.80 | ALDH1A1 (0.30) | — | |
| SCHEMBL8989506 | 0.80 | ALDH1A1 (0.30) | — | |
| SCHEMBL11539941 | 0.80 | ALDH1A1 (0.30) | — |
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-4032520-A | SYNTHESIS OF CYCLOPENTANOL | KIENZLE FRANK | 1977-06-28 | — | — | US | disclosed |