⚠ 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 SCHEMBL2041223 | 0.96 | — | — | |
| Tetrahydrofuran SCHEMBL28446839 | 0.85 | — | — | |
| Ethane SCHEMBL8942634 | 0.84 | ALDH1A1 (0.73) | — | |
| SCHEMBL2848269 | 0.83 | ALDH1A1 (0.89) | — | |
| SCHEMBL5386353 | 0.83 | ALDH1A1 (0.89) | — | |
| SCHEMBL10713952 | 0.83 | ALDH1A1 (0.89) | — | |
| Tetrahydrofuran SCHEMBL11026489 | 0.83 | ALDH1A1 (0.89) | — | |
| SCHEMBL2845030 | 0.83 | ALDH1A1 (0.89) | — | |
| SCHEMBL2846103 | 0.83 | ALDH1A1 (0.89) | — | |
| SCHEMBL4456224 | 0.83 | ALDH1A1 (0.89) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0212373-B1 | PHOTOREACTIVE COMPOUNDS | BASF Aktiengesellschaft (DE) | 1991-01-23 | — | — | EP | disclosed |
| EP-0212373-A2 | Photoreactive compounds | BASF Aktiengesellschaft (DE) | 1987-03-04 | — | — | EP | disclosed |