⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2260898 | 0.73 | CA1 (0.31) | — | |
| SCHEMBL2152419 | 0.73 | CA1 (0.31) | — | |
| SCHEMBL24465047 | 0.71 | — | — | |
| SCHEMBL31281314 | 0.71 | — | — | |
| SCHEMBL20372943 | 0.70 | — | — | |
| SCHEMBL967395 | 0.69 | CA1 (0.31) | — | |
| SCHEMBL27352175 | 0.68 | CA1 (0.32) | — | |
| SCHEMBL18873460 | 0.68 | — | — | |
| SCHEMBL28848468 | 0.67 | SRD5A2 (0.30) | — | |
| SCHEMBL28905538 | 0.66 | CA1 (0.32) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11253525-B2 | Inhibitors of indoleamine 2,3-dioxygenase and methods of their use | BRISTOL-MYERS SQUIBB COMPANY (US) | 2022-02-22 | — | — | US | disclosed |
| EP-2343298-B9 | Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors | INCYTE HOLDINGS CORP (US) | 2020-05-06 | — | — | EP | disclosed |
| US-20200069695-A1 | INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE | BRISTOL MYERS SQUIBB CO (US) | 2020-03-05 | — | — | US | disclosed |
| US-20190218194-A1 | ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF | Epizyme, Inc. | 2019-07-18 | — | — | US | disclosed |