⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13847390 | 0.99 | — | — | |
| SCHEMBL12520158 | 0.99 | — | — | |
| SCHEMBL13936409 | 0.80 | — | — | |
| SCHEMBL15344678 | 0.79 | — | — | |
| SCHEMBL15344675 | 0.78 | ROCK2 (0.32) | — | |
| SCHEMBL15381147 | 0.78 | — | — | |
| SCHEMBL15344687 | 0.77 | ROCK2 (0.33) | — | |
| SCHEMBL17900465 | 0.77 | ROCK2 (0.33) | — | |
| SCHEMBL16301750 | 0.77 | ROCK2 (0.33) | — | |
| SCHEMBL15344692 | 0.73 | SLC6A2 (0.30) | — |
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-20130281747-A1 | COBALT PHOSPHINE ALKYL COMPLEXES FOR THE ASYMMETRIC HYDROGENATION OF ALKENES | NATIONAL SCIENCE FOUNDATION | 2013-10-24 | — | — | US | disclosed |