⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3752264 | 0.75 | F10 (0.33) | — | |
| SCHEMBL16897117 | 0.66 | PARP1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL20270500 | 0.64 | PRKCZ (0.42) | — | |
| SCHEMBL2126361 | 0.63 | F2 (0.39) | — | |
| SCHEMBL17654485 | 0.61 | PLAU (0.61) | — | |
| SCHEMBL12067334 | 0.60 | EPHB3 (0.45) | — | |
| Hydrochloric Acid SCHEMBL23754646 | 0.59 | TUBB4A (0.45) | — | |
| Hydrochloric Acid SCHEMBL1693996 | 0.59 | EPHB3 (0.44) | — | |
| SCHEMBL7958530 | 0.58 | GAA (0.45) | — | |
| SCHEMBL1421583 | 0.58 | SIRT3 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2443115-A1 | COMPOUNDS | Glaxo Group Limited (GB) | 2012-04-25 | — | — | EP | disclosed |
| WO-2010145201-A1 | COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2010-12-23 | — | — | WO | disclosed |