⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6948208 | 0.77 | — | — | |
| SCHEMBL8500628 | 0.74 | — | — | |
| SCHEMBL7053015 | 0.74 | — | — | |
| SCHEMBL3764202 | 0.72 | — | — | |
| SCHEMBL3628671 | 0.71 | — | — | |
| SCHEMBL1560322 | 0.71 | — | — | |
| SCHEMBL1804311 | 0.71 | — | — | |
| SCHEMBL6946855 | 0.67 | — | — | |
| SCHEMBL11144259 | 0.67 | TP53 (0.38) | — | |
| L-Alaninol SCHEMBL11150399 | 0.67 | TP53 (0.48) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007120523-A2 | 6-(AMINOALKYL)INDAZOLES | VITAE PHARMACEUTICALS, INC. (US) | 2007-10-25 | — | — | WO | disclosed |
| EP-1725530-A1 | ORGANIC COMPOUNDS | Speedel Experimenta AG (CH) | 2006-11-29 | — | — | EP | disclosed |
| WO-2005090304-A1 | ORGANIC COMPOUNDS | SPEEDEL EXPERIMENTA AG (CH) | 2005-09-29 | — | — | WO | disclosed |