⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16388297 | 1.00 | — | — | |
| SCHEMBL14288629 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL29045280 | 0.97 | ALDH1A1 (0.52) | — | |
| SCHEMBL26747829 | 0.83 | — | — | |
| SCHEMBL23376681 | 0.83 | ALDH1A1 (0.38) | — | |
| Acetic Acid SCHEMBL2859784 | 0.81 | TDP1 (0.42) | — | |
| Acetic Acid SCHEMBL6685363 | 0.81 | TDP1 (0.42) | — | |
| SCHEMBL15514599 | 0.80 | — | — | |
| SCHEMBL289124 | 0.80 | — | — | |
| SCHEMBL14889586 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-116547287-A | Inhibitors of APOL1 and methods of use thereof | 弗特克斯药品有限公司 | 2023-08-04 | — | — | CN | disclosed |
| WO-2021062246-A1 | CRF RECEPTOR ANTAGONISTS AND METHODS OF USE | NEUROCRINE BIOSCIENCES, INC. (US) | 2021-04-01 | — | — | WO | disclosed |
| US-20100105914-A1 | CASPASE INHIBITORS AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-04-29 | — | — | US | disclosed |
| US-7652153-B2 | Use in controlling apoptosis, as antiinflammatory agents, in treating autoimmune disease, as antiischemic agents, in treating cardiovascular disorders; for example, (S,S)-3-[2-(3-Acetylamino-2-oxo-2H-pyridin-1-yl)-butyrylamino]-4-oxo-5-(2,3,5,6-tetrafluoro-phenoxy)-pentanoic acid | VERTEX PHARMACEUTICALS INCORPORATED | 2010-01-26 | — | — | US | disclosed |