⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5084320 | 1.00 | — | — | |
| SCHEMBL22448448 | 1.00 | — | — | |
| SCHEMBL15116660 | 0.86 | — | — | |
| SCHEMBL21107478 | 0.86 | — | — | |
| SCHEMBL26947019 | 0.86 | — | — | |
| SCHEMBL12735635 | 0.84 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL8950 | 0.84 | — | — | |
| SCHEMBL30718591 | 0.84 | — | — | |
| SCHEMBL67470 | 0.79 | — | — | |
| SCHEMBL3770046 | 0.79 | PIP5K1C (0.30) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20250313575-A1 | MACROCYCLES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF | MERCK SHARP & DOHME LLC (US) | 2025-10-09 | — | — | US | disclosed |
| WO-2023224894-A9 | MACROCYCLES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF | MERCK SHARP & DOHME LLC (US) | 2024-10-17 | — | — | WO | disclosed |
| WO-2023180189-A1 | MPRO TARGETING ANTIVIRAL COMPOUNDS | EXSCIENTIA AI LIMITED (GB) | 2023-09-28 | — | — | WO | disclosed |
| US-20230013585-A1 | SUBSTITUTED 6-AZABENZIMIDAZOLE COMPOUNDS | GILEAD SCIENCES, INC. | 2023-01-19 | — | — | US | disclosed |
| WO-2022251561-A2 | SPIROINDOLINONE COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS | D.E. SHAW RESEARCH, LLC (US) | 2022-12-01 | — | — | WO | disclosed |
| WO-2022184152-A1 | FUSED RING SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 劲方医药科技(上海)有限公司 | 2022-09-09 | — | — | WO | disclosed |
| EP-2334657-B1 | PIPERAZINE D3 AND 5-HT2A RECEPTOR MODULATORS | HOFFMANN LA ROCHE (CH) | 2013-03-06 | — | — | EP | disclosed |
| US-8178531-B2 | Antiviral agents | ENANTA PHARMACEUTICALS, INC. (US) | 2012-05-15 | — | — | US | disclosed |
| US-20110218175-A1 | ANTIVIRAL AGENTS | ENANTA PHARMACEUTICALS, INC. | 2011-09-08 | — | — | US | disclosed |