⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7894436 | 0.80 | AKR1B1 (0.33) | — | |
| SCHEMBL7533382 | 0.77 | — | — | |
| SCHEMBL11208052 | 0.77 | ALDH1A1 (0.31) | — | |
| SCHEMBL5941211 | 0.74 | GSK3A (0.31) | — | |
| SCHEMBL2772489 | 0.72 | GSK3A (0.36) | — | |
| SCHEMBL9219918 | 0.70 | — | — | |
| SCHEMBL11757475 | 0.69 | — | — | |
| SCHEMBL3881256 | 0.69 | — | — | |
| Bicarbonate SCHEMBL2496371 | 0.68 | PTPN1 (0.32) | — | |
| SCHEMBL7696701 | 0.68 | ALDH1A1 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007077140-A1 | HYDROXY-NOREPHEDRINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION | BASF AKTIENGESELLSCHAFT (DE) | 2007-07-12 | — | — | WO | disclosed |