⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10477627 | 0.87 | — | — | |
| SCHEMBL10477604 | 0.86 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL1549585 | 0.73 | FFAR3 (0.36) | — | |
| SCHEMBL15498629 | 0.72 | CCNA2 (0.31) | — | |
| SCHEMBL28604148 | 0.71 | — | — | |
| SCHEMBL16761654 | 0.71 | — | — | |
| SCHEMBL2361032 | 0.71 | DGAT1 (0.36) | — | |
| SCHEMBL19699898 | 0.70 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL10477628 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL4594279 | 0.69 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107074859-B | Cyclohexylethyl substituted diaza-and triaza-tricyclics as indoleamine-2, 3-dioxygenase (IDO) antagonists for the treatment of cancer | 默克专利有限公司 | 2021-08-06 | — | — | CN | disclosed |
| EP-3189054-B1 | (1-FLUORO-CYCLOHEX-1-YL)-ETHYL SUBSTITUTED DIAZA- AND TRIAZA-TRICYCLIC COMPOUNDS AS INDOLE-AMINE-2,3-DIOXYGENASE (IDO) ANTAGONISTS FOR THE TREATMENT OF CANCER | MERCK PATENT GMBH (DE) | 2019-07-24 | — | — | EP | disclosed |
| US-10329297-B2 | Compounds for the inhibition of indoleamine-2,3-dioxygenase | MERCK PATENT GMBH (DE) | 2019-06-25 | — | — | US | disclosed |
| US-20170355703-A1 | COMPOUNDS FOR THE INHIBITION OF INDOLEAMINE-2,3-DIOXYGENASE | MERCK PATENT GMBH (DE) | 2017-12-14 | — | — | US | disclosed |
| US-20170355703-A1 | COMPOUNDS FOR THE INHIBITION OF INDOLEAMINE-2,3-DIOXYGENASE | MERCK PATENT GMBH (DE) | 2017-12-14 | — | — | US | disclosed |
| US-9771370-B2 | Compounds for the inhibition of indoleamine-2,3-dioxygenase | MERCK PATENT GMBH (DE) | 2017-09-26 | — | — | US | disclosed |
| US-9771370-B2 | Compounds for the inhibition of indoleamine-2,3-dioxygenase | MERCK PATENT GMBH (DE) | 2017-09-26 | — | — | US | disclosed |
| US-20160075711-A1 | COMPOUNDS FOR THE INHIBITION OF INDOLEAMINE-2,3-DIOXYGENASE | MERCK PATENT GMBH (DE) | 2016-03-17 | — | — | US | disclosed |
| WO-2016037026-A1 | CYCLOHEXYL-ETHYL SUBSTITUTED DIAZA- AND TRIAZA-TRICYCLIC COMPOUNDS AS INDOLE-AMINE-2,3-DIOXYGENASE (IDO) ANTAGONISTS FOR THE TREATMENT OF CANCER | MERCK PATENT GMBH (DE) | 2016-03-10 | — | — | WO | disclosed |