⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6584271 | 0.81 | — | — | |
| SCHEMBL801270 | 0.74 | — | — | |
| SCHEMBL3909951 | 0.72 | — | — | |
| SCHEMBL3096327 | 0.72 | ALDH1A1 (0.39) | — | |
| SCHEMBL2195181 | 0.72 | — | — | |
| SCHEMBL1615790 | 0.72 | — | — | |
| SCHEMBL18461960 | 0.72 | — | — | |
| SCHEMBL3907850 | 0.72 | — | — | |
| SCHEMBL1615800 | 0.72 | CHRNB2 (0.58) | — | |
| SCHEMBL20718367 | 0.72 | ALDH1A1 (0.31) | — |
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-10766860-B2 | Lysyl oxidase-like 2 inhibitors and uses thereof | PHARMAKEA, INC. (US) | 2020-09-08 | — | — | US | disclosed |
| US-20180057458-A1 | LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF | PHARMAKEA, INC. | 2018-03-01 | — | — | US | disclosed |