⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20745917 | 1.00 | — | — | |
| SCHEMBL8316345 | 0.84 | — | — | |
| Ammonia Solution, Strong SCHEMBL11146699 | 0.80 | ALDH1A1 (0.39) | — | |
| SCHEMBL4751424 | 0.79 | — | — | |
| Ammonia Solution, Strong SCHEMBL3018567 | 0.75 | — | — | |
| Ammonia Solution, Strong SCHEMBL1149289 | 0.75 | ALDH1A1 (0.31) | — | |
| SCHEMBL8314367 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL15855951 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL13958812 | 0.72 | — | — | |
| SCHEMBL12418749 | 0.72 | ALDH1A1 (0.31) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8796460-B2 | Compounds for inhibiting KSP kinesin activity | Mercky Sharp & Dohme Corp. (US) | 2014-08-05 | — | — | US | disclosed |
| US-20110171172-A1 | COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY | MERCK SHARP & DOHME CORP. | 2011-07-14 | — | — | US | disclosed |
| US-20110150757-A1 | COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY | MERCK SHARP & DOHME CORP. | 2011-06-23 | — | — | US | disclosed |
| US-20110123435-A1 | COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY | MERCK SHARP & DOHME LLC | 2011-05-26 | — | — | US | disclosed |