⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27687723 | 0.80 | TAAR1 (0.36) | — | |
| SCHEMBL27563028 | 0.80 | TDP1 (0.30) | — | |
| SCHEMBL28166797 | 0.79 | GNAO1 (0.37) | — | |
| SCHEMBL27594590 | 0.77 | GNAO1 (0.40) | — | |
| SCHEMBL19812634 | 0.77 | GNAO1 (0.40) | — | |
| SCHEMBL27626232 | 0.76 | TAAR1 (0.35) | — | |
| SCHEMBL28752326 | 0.76 | TDP1 (0.30) | — | |
| SCHEMBL27490674 | 0.76 | CA1 (0.30) | — | |
| SCHEMBL28166804 | 0.72 | ALDH1A1 (0.34) | — | |
| SCHEMBL27531040 | 0.72 | GBA1 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1953965-B | Novel cis-imidazolines | HOFFMANN LA ROCHE | 2012-07-04 | — | — | CN | disclosed |
| CN-1953965-A | Novel cis-imidazolines | HOFFMANN LA ROCHE (CH) | 2007-04-25 | — | — | CN | disclosed |