⚠ 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 | |
|---|---|---|---|---|
| Tetrahydrofuran SCHEMBL3696591 | 0.82 | ALDH1A1 (0.32) | — | |
| Tetrahydrofuran SCHEMBL28766782 | 0.82 | ALDH1A1 (0.32) | — | |
| Tetrahydrofuran SCHEMBL6058514 | 0.75 | — | — | |
| Tetrahydrofuran SCHEMBL26688536 | 0.64 | ALDH1A1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL4633025 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL7756684 | 0.63 | — | — | |
| Tetrahydrofuran SCHEMBL18762144 | 0.63 | ALDH1A1 (0.32) | — | |
| SCHEMBL1733158 | 0.63 | CTSD (0.33) | — | |
| Tetrahydrofuran SCHEMBL5345937 | 0.62 | ALDH1A1 (0.31) | — | |
| SCHEMBL7759738 | 0.61 | — | — |
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-20060058179-A1 | Catalyst composition | RIKEN (JP) | 2006-03-16 | — | — | US | disclosed |