⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22115100 | 1.00 | — | — | |
| SCHEMBL19301802 | 1.00 | — | — | |
| SCHEMBL21188799 | 1.00 | — | — | |
| SCHEMBL17916704 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL17912394 | 0.97 | — | — | |
| SCHEMBL8300781 | 0.77 | GNAI3 (0.36) | — | |
| SCHEMBL12457635 | 0.76 | — | — | |
| SCHEMBL13576335 | 0.76 | — | — | |
| SCHEMBL12457628 | 0.76 | — | — | |
| SCHEMBL13576346 | 0.76 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024141757-A1 | LSD1 MODULATORS | EXSCIENTIA AI LIMITED (GB) | 2024-07-04 | — | — | WO | disclosed |
| EP-3833439-B1 | BENZIMIDAZOLE INHIBITORS OF PAD ENZYMES | BRISTOL MYERS SQUIBB CO (US) | 2023-07-12 | — | — | EP | disclosed |
| US-20220023281-A1 | HETEROCYCLIC SPIRO-COMPOUNDS AS AM2 RECEPTOR INHIBITORS | THE UNIVERSITY OF SHEFFIELD (GB) | 2022-01-27 | — | — | US | disclosed |
| WO-2021163254-A1 | HETEROCYCLIC PAD4 INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2021-08-19 | — | — | WO | disclosed |
| EP-3386505-B1 | AZA-BENZIMIDAZOLE INHIBITORS OF PAD4 | PADLOCK THERAPEUTICS INC (US) | 2020-09-23 | — | — | EP | disclosed |
| US-9765093-B2 | Aza-benzimidazole inhibitors of PAD4 | PADLOCK THERAPEUTICS, INC. (US) | 2017-09-19 | — | — | US | disclosed |
| WO-2017147102-A1 | HETEROARYL INHIBITORS OF PAD4 | PADLOCK THERAPEUTICS, INC. (US) | 2017-08-31 | — | — | WO | disclosed |
| US-20170166592-A1 | AZA-BENZIMIDAZOLE INHIBITORS OF PAD4 | PADLOCK THERAPEUTICS, INC. | 2017-06-15 | — | — | US | disclosed |