⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL46423 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL29462057 | 0.76 | NPC1 (0.35) | — | |
| Hydrochloric Acid SCHEMBL30528623 | 0.76 | — | — | |
| SCHEMBL12260190 | 0.76 | — | — | |
| Oxazole SCHEMBL3800628 | 0.64 | NPC1 (0.31) | — | |
| Aniline SCHEMBL11874837 | 0.64 | TP53 (0.46) | — | |
| SCHEMBL19932153 | 0.59 | — | — | |
| SCHEMBL30565541 | 0.57 | — | — | |
| SCHEMBL10175407 | 0.57 | — | — | |
| SCHEMBL4371910 | 0.54 | — | — |
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-2375899-A1 | PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF | Array Biopharma, Inc. (US) | 2011-10-19 | — | — | EP | disclosed |
| WO-2010080864-A1 | PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF | ARRAY BIOPHARMA INC. (US) | 2010-07-15 | — | — | WO | disclosed |