⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL255097 | 1.00 | — | — | |
| SCHEMBL13924060 | 1.00 | — | — | |
| SCHEMBL13201847 | 1.00 | — | — | |
| SCHEMBL14589071 | 0.93 | ALDH1A1 (0.44) | — | |
| SCHEMBL26957504 | 0.93 | ALDH1A1 (0.44) | — | |
| SCHEMBL256347 | 0.93 | ALDH1A1 (0.44) | — | |
| SCHEMBL26957962 | 0.93 | ALDH1A1 (0.44) | — | |
| SCHEMBL26484979 | 0.91 | ALDH1A1 (0.44) | — | |
| SCHEMBL14407323 | 0.90 | ALDH1A1 (0.41) | — | |
| SCHEMBL21440591 | 0.90 | ALDH1A1 (0.41) | — |
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-20220340577-A1 | GCN2 INHIBITORS AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED | 2022-10-27 | — | — | US | disclosed |
| US-20210040083-A1 | GCN2 INHIBITORS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2021-02-11 | — | — | US | disclosed |
| US-20210024521-A1 | PREPARATION METHOD FOR AND INTERMEDIATE OF PYRROLO SIX-MEMBERED HETEROAROMATIC RING DERIVATIVE | JIANGSU HENGRUI MEDICINE CO., LTD. (CN) | 2021-01-28 | — | — | US | disclosed |
| WO-2018059314-A1 | AZABICYCLE DERIVATIVES AND PREPARATION METHOD AND USE THEREOF | 四川科伦博泰生物医药股份有限公司 | 2018-04-05 | — | — | WO | disclosed |