⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL182247 | 0.83 | OPRM1 (0.35) | — | |
| SCHEMBL3365469 | 0.82 | OPRM1 (0.34) | — | |
| Ammonia Solution, Strong SCHEMBL7597471 | 0.82 | OPRM1 (0.34) | — | |
| Biphenyl SCHEMBL5290689 | 0.70 | ALDH1A1 (0.36) | — | |
| Benzene SCHEMBL27554911 | 0.70 | — | — | |
| Toluene SCHEMBL27717100 | 0.69 | TSHR (0.42) | — | |
| Benzene SCHEMBL27464996 | 0.68 | — | — | |
| SCHEMBL28078495 | 0.68 | — | — | |
| Phenol SCHEMBL28469352 | 0.68 | CA12 (0.41) | — | |
| SCHEMBL7174091 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1546580-A2 | TRANSMISSION | Rohs, Ulrich, Dr. (DE) | 2005-06-29 | — | — | EP | disclosed |
| WO-2004033934-A2 | TRANSMISSION | ROHS ULRICH (DE) | 2004-04-22 | — | — | WO | disclosed |
| WO-2004031620-A2 | TRANSMISSION | ROHS ULRICH (DE) | 2004-04-15 | — | — | WO | disclosed |