⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21384363 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL30069218 | 0.98 | ESR1 (0.33) | — | |
| SCHEMBL22761463 | 0.84 | TSHR (0.33) | — | |
| SCHEMBL19852292 | 0.84 | ESR1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL15777327 | 0.82 | TSHR (0.34) | — | |
| Hydrochloric Acid SCHEMBL31057431 | 0.82 | TSHR (0.32) | — | |
| SCHEMBL24536115 | 0.81 | CYP3A4 (0.33) | — | |
| SCHEMBL15400287 | 0.78 | — | — | |
| SCHEMBL26984591 | 0.78 | — | — | |
| SCHEMBL5441416 | 0.78 | ESR1 (0.33) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024151833-A1 | SPIRO DERIVATIVES AS M4 ACTIVATORS/MODULATORS AND USES THEREOF | CEREVEL THERAPEUTICS, LLC (US) | 2024-07-18 | — | — | WO | disclosed |
| WO-2024020156-A1 | EMOPAMIL-BINDING PROTEIN INHIBITORS AND USES THEREOF | BIOGEN MA INC. (US) | 2024-01-25 | — | — | WO | disclosed |
| WO-2023061294-A1 | NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 再鼎医药(上海)有限公司 | 2023-04-20 | — | — | WO | disclosed |
| US-11319312-B2 | Pharmaceutical compounds | HEPTARES THERAPEUTICS LIMITED | 2022-05-03 | — | — | US | disclosed |
| US-20210101893-A1 | PHARMACEUTICAL COMPOUNDS | NXERA PHARMA UK LIMITED (GB) | 2021-04-08 | — | — | US | disclosed |
| US-10858352-B2 | Pharmaceutical compounds | HEPTARES THERAPEUTICS LIMITED (GB) | 2020-12-08 | — | — | US | disclosed |
| US-10385055-B2 | Tricyclic gyrase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2019-08-20 | — | — | US | disclosed |