⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18469077 | 0.86 | MEN1 (0.31) | — | |
| SCHEMBL47332 | 0.83 | ALDH1A1 (0.33) | — | |
| SCHEMBL27473411 | 0.81 | GRIN2D (0.32) | — | |
| SCHEMBL7752388 | 0.81 | ALDH1A1 (0.33) | — | |
| SCHEMBL7752393 | 0.78 | ALDH1A1 (0.34) | — | |
| SCHEMBL20124025 | 0.77 | ALDH1A1 (0.34) | — | |
| SCHEMBL21576712 | 0.74 | — | — | |
| SCHEMBL11877444 | 0.73 | — | — | |
| SCHEMBL1270488 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL30994063 | 0.72 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230159517-A1 | CHROMANE AMIDINE MONOBACTAM COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS | MERCK SHARP & DOHME LLC (US) | 2023-05-25 | — | — | US | disclosed |
| EP-3929203-A1 | DERIVATIVES OF AMPHOTERICIN B | Sfunga Therapeutics, Inc. (US) | 2021-12-29 | — | — | EP | disclosed |
| EP-3283171-B1 | DERIVATIVES OF AMPHOTERICIN B | SFUNGA THERAPEUTICS INC (US) | 2021-05-26 | — | — | EP | disclosed |
| WO-2017139210-A1 | C5-C6-OXACYLIC FUSED IMINOTHIADIAZINE DIOXIDE COMPOUNDS BEARING AN ETHER LINKER AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2017-08-17 | — | — | WO | disclosed |
| WO-2016090079-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | CELGENE AVILOMICS RESEARCH, INC. (US) | 2016-06-09 | — | — | WO | disclosed |