⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7373475 | 0.84 | KEAP1 (0.54) | — | |
| SCHEMBL4542244 | 0.84 | — | — | |
| SCHEMBL7392124 | 0.82 | SIGMAR1 (0.48) | — | |
| SCHEMBL7386349 | 0.80 | SIGMAR1 (0.47) | — | |
| SCHEMBL4018537 | 0.80 | SIGMAR1 (0.47) | — | |
| SCHEMBL7393692 | 0.80 | SIGMAR1 (0.47) | — | |
| SCHEMBL3975418 | 0.78 | ALOX15 (1.00) | — | |
| SCHEMBL242967 | 0.78 | — | — | |
| SCHEMBL179843 | 0.78 | ALOX15 (1.00) | — | |
| SCHEMBL1285003 | 0.78 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108884029-B | LSD1 inhibitors | 米拉蒂医疗股份有限公司 | 2021-10-26 | — | — | CN | disclosed |
| CN-112739343-A | Macrocyclic MCL-1 inhibitors and methods of use | 艾伯维公司 | 2021-04-30 | — | — | CN | disclosed |
| CN-112533598-A | Macrocyclic MCL-1 inhibitors and methods of use | 艾伯维公司 | 2021-03-19 | — | — | CN | disclosed |
| CN-103732597-A | Tricyclic heterocyclic compounds and JAK inhibitors | NISSAN CHEMICAL IND LTD | 2014-04-16 | — | — | CN | disclosed |
| WO-2009071691-A2 | OXINDOLE DERIVATIVES AND THE USE THEREOF AS A MEDICATION | ABBOTT GMBH & CO. KG (DE) | 2009-06-11 | — | — | WO | disclosed |
| CN-1344266-A | Novel compounds | ASTRAZENECA AB (SE) | 2002-04-10 | — | — | CN | disclosed |