⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14692556 | 0.75 | KDM4E (0.42) | — | |
| SCHEMBL15933233 | 0.74 | NOTUM (0.39) | — | |
| SCHEMBL15930157 | 0.74 | NOTUM (0.37) | — | |
| SCHEMBL14692534 | 0.69 | NOTUM (0.62) | — | |
| SCHEMBL14692497 | 0.61 | NOTUM (0.52) | — | |
| SCHEMBL5265966 | 0.61 | — | — | |
| SCHEMBL14706103 | 0.60 | KMT2A (0.42) | — | |
| SCHEMBL15933197 | 0.60 | KMT2A (0.44) | — | |
| SCHEMBL16046407 | 0.60 | IDH1 (0.44) | — | |
| SCHEMBL16043774 | 0.60 | IDH1 (0.44) | — |
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-10208068-B2 | Macrocycles as factor XIa inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2019-02-19 | — | — | US | disclosed |
| US-20180148461-A1 | NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2018-05-31 | — | — | US | disclosed |