⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4758300 | 1.00 | — | — | |
| SCHEMBL18912345 | 0.92 | — | — | |
| SCHEMBL14026509 | 0.92 | — | — | |
| SCHEMBL2497900 | 0.92 | — | — | |
| SCHEMBL22083620 | 0.81 | — | — | |
| SCHEMBL14112942 | 0.81 | — | — | |
| SCHEMBL3939007 | 0.78 | — | — | |
| SCHEMBL7024273 | 0.78 | — | — | |
| SCHEMBL21986189 | 0.78 | — | — | |
| SCHEMBL7761943 | 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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021158840-A1 | MACROCYCLIC PAD4 INHIBITORS USEFUL AS IMMUNOSUPPRESSANT | BRISTOL-MYERS SQUIBB COMPANY (US) | 2021-08-12 | — | — | WO | disclosed |
| WO-2021050964-A1 | HPK1 ANTAGONISTS AND USES THEREOF | Nimbus Saturn, Inc. (US) | 2021-03-18 | — | — | WO | disclosed |
| EP-3386505-B1 | AZA-BENZIMIDAZOLE INHIBITORS OF PAD4 | PADLOCK THERAPEUTICS INC (US) | 2020-09-23 | — | — | EP | disclosed |
| US-20170342079-A1 | COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT | GILEAD SCIENCES, INC. | 2017-11-30 | — | — | US | disclosed |
| WO-2017100601-A1 | AZA-BENZIMIDAZOLE INHIBITORS OF PAD4 | PADLOCK THERAPEUTICS, INC. (US) | 2017-06-15 | — | — | WO | disclosed |
| WO-2017100594-A1 | BICYCLIC INHIBITORS OF PAD4 | PADLOCK THERAPEUTICS, INC. (US) | 2017-06-15 | — | — | WO | disclosed |
| US-20170029427-A1 | COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT | GILEAD SCIENCES, INC. | 2017-02-02 | — | — | US | disclosed |
| US-9504689-B2 | Compounds and methods for antiviral treatment | GILEAD SCIENCES, INC. (US) | 2016-11-29 | — | — | US | disclosed |
| US-20150238501-A1 | COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT | GILEAD SCIENCES, INC. | 2015-08-27 | — | — | US | disclosed |
| US-8980878-B2 | Compounds and methods for antiviral treatment | GILEAD SCIENCES, INC. (US) | 2015-03-17 | — | — | US | disclosed |
| US-20130273037-A1 | COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT | GILEAD SCIENCES, INC. | 2013-10-17 | — | — | US | disclosed |