⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2442258 | 0.95 | — | — | |
| Potassium Ion SCHEMBL16910245 | 0.74 | CA4 (0.38) | — | |
| SCHEMBL5886409 | 0.74 | CA4 (0.38) | — | |
| SCHEMBL4753952 | 0.72 | NSD2 (0.42) | — | |
| SCHEMBL7217948 | 0.68 | NSD2 (0.39) | — | |
| SCHEMBL11580119 | 0.67 | CA4 (0.32) | — | |
| 1-Aminocyclopropane Carboxylic Acid SCHEMBL28391812 | 0.63 | — | — | |
| Lithium Ion SCHEMBL5016617 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL14858212 | 0.62 | TSHR (0.36) | — | |
| SCHEMBL11485145 | 0.61 | CA4 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2073807-A1 | PHARMACEUTICAL COMBINATIONS | Astex Therapeutics Limited (GB) | 2009-07-01 | — | — | EP | disclosed |
| EP-2046330-A2 | PHARMACEUTICAL COMBINATIONS | Astex Therapeutics Limited (GB) | 2009-04-15 | — | — | EP | disclosed |
| WO-2008044045-A1 | PHARMACEUTICAL COMBINATIONS | ASTEX THERAPEUTICS LIMITED (GB) | 2008-04-17 | — | — | WO | disclosed |
| WO-2008007122-A2 | COMBINATIONS OF PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDKS AND GSK'S | ASTEX THERAPEUTICS LIMITED (GB) | 2008-01-17 | — | — | WO | disclosed |