⚠ 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 | — | — | |
| SCHEMBL21188799 | 1.00 | — | — | |
| SCHEMBL18967294 | 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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3833439-B1 | BENZIMIDAZOLE INHIBITORS OF PAD ENZYMES | BRISTOL MYERS SQUIBB CO (US) | 2023-07-12 | — | — | EP | disclosed |
| US-20230203039-A1 | MACROCYCLIC PAD4 INHIBITORS USEFUL AS IMMUNOSUPPRESSANT | BRISTOL MYERS SQUIBB CO (US) | 2023-06-29 | — | — | US | disclosed |
| US-20230167131-A1 | HETEROCYCLIC PAD4 INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2023-06-01 | — | — | US | disclosed |
| US-20230002412-A1 | INHIBITORS OF PEPTIDYLARGININE DEIMINASES | GILEAD SCIENCES, INC. | 2023-01-05 | — | — | US | disclosed |
| WO-2021222353-A1 | MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES | GILEAD SCIENCES, INC. (US) | 2021-11-04 | — | — | WO | disclosed |
| WO-2021163254-A1 | HETEROCYCLIC PAD4 INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2021-08-19 | — | — | WO | disclosed |
| WO-2021158840-A1 | MACROCYCLIC PAD4 INHIBITORS USEFUL AS IMMUNOSUPPRESSANT | BRISTOL-MYERS SQUIBB COMPANY (US) | 2021-08-12 | — | — | WO | disclosed |
| US-10981906-B2 | Substituted pyrrolopyridine JAK inhibitors and methods of making and using the same | ACLARIS THERAPEUTICS, INC. (US) | 2021-04-20 | — | — | US | disclosed |
| US-10815218-B2 | Benzoimidazole derivatives as PAD4 inhibitors | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2020-10-27 | — | — | US | disclosed |
| WO-2020033490-A1 | SUBSTITUTED THIENOPYRROLES AS PAD4 INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2020-02-13 | — | — | WO | disclosed |
| US-20190135808-A1 | SUBSTITUTED PYRROLOPYRIDINE JAK INHIBITORS AND METHODS OF MAKING AND USING THE SAME | ACLARIS THERAPEUTICS, INC. | 2019-05-09 | — | — | US | disclosed |
| WO-2017147102-A1 | HETEROARYL INHIBITORS OF PAD4 | PADLOCK THERAPEUTICS, INC. (US) | 2017-08-31 | — | — | WO | disclosed |