⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8119366 | 0.77 | — | — | |
| SCHEMBL11443689 | 0.72 | — | — | |
| SCHEMBL5157691 | 0.72 | — | — | |
| SCHEMBL905091 | 0.69 | — | — | |
| SCHEMBL5157099 | 0.67 | — | — | |
| SCHEMBL18869412 | 0.67 | KMT2A (0.35) | — | |
| SCHEMBL12355758 | 0.65 | — | — | |
| SCHEMBL11443024 | 0.65 | — | — | |
| SCHEMBL11451767 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL31079109 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20120108575-A1 | HETEROCYCLIC-SUBSTITUTED PIPERIDINE COMPOUNDS AND THE USES THEREOF | SHIONOGI & CO., LTD. (JP) | 2012-05-03 | — | — | US | disclosed |
| US-4242495-A | COATINGS, MOLDINGS, FOAMS | THE FIRESTONE TIRE & RUBBER COMPANY (US) | 1980-12-30 | — | — | US | disclosed |