⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19490742 | 0.94 | TSHR (0.41) | — | |
| SCHEMBL12674257 | 0.92 | TSHR (0.39) | — | |
| SCHEMBL22307924 | 0.88 | — | — | |
| SCHEMBL21323195 | 0.82 | TSHR (0.46) | — | |
| SCHEMBL19121465 | 0.82 | TSHR (0.55) | — | |
| SCHEMBL10207376 | 0.82 | TSHR (0.41) | — | |
| SCHEMBL22305065 | 0.81 | TSHR (0.53) | — | |
| SCHEMBL26718342 | 0.79 | TSHR (0.31) | — | |
| SCHEMBL15221484 | 0.78 | TSHR (0.61) | — | |
| SCHEMBL20261316 | 0.77 | TSHR (0.55) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024151833-A1 | SPIRO DERIVATIVES AS M4 ACTIVATORS/MODULATORS AND USES THEREOF | CEREVEL THERAPEUTICS, LLC (US) | 2024-07-18 | — | — | WO | disclosed |
| WO-2024107763-A1 | N6-ADENOSINE-METHYLTRANSFERASE PROTACS AND METHODS OF USE THEREOF | UNIVERSITY OF ZURICH (CH) | 2024-05-23 | — | — | WO | disclosed |
| WO-2024015851-A1 | TREATMENT OF CELL PROLIFERATION-ASSOCIATED CONDITIONS USING A COMBINATION OF A CLB-B INHIBITOR AND AN ADDITIONAL THERAPEUTIC AGENT | HOTSPOT THERAPEUTICS, INC. (US) | 2024-01-18 | — | — | WO | disclosed |
| US-20230357177-A1 | SYNTHESIS OF CANNABIDIOL AND ANALOGS THEREOF, AND RELATED COMPOUNDS, FORMULATIONS, AND METHODS OF USE | NALU BIO, INC. | 2023-11-09 | — | — | US | disclosed |
| US-20230357177-A1 | SYNTHESIS OF CANNABIDIOL AND ANALOGS THEREOF, AND RELATED COMPOUNDS, FORMULATIONS, AND METHODS OF USE | NALU BIO, INC. | 2023-11-09 | — | — | US | disclosed |
| WO-2023018648-A1 | PHENOL DERIVATIVES FOR USE IN THE MODULATION OF BRM | GENENTECH, INC. (US) | 2023-02-16 | — | — | WO | disclosed |
| US-20220402917-A1 | COMPOUND AS SMALL MOLECULE INHIBITOR PD-1/PD-L1 AND APPLICATION THEREOF | MEDSHINE DISCOVERY INC. (CN) | 2022-12-22 | — | — | US | disclosed |
| WO-2021063404-A1 | COMPOUND AS SMALL MOLECULE INHIBITOR PD-1/PD-L1 AND APPLICATION THEREOF | 南京明德新药研发有限公司 | 2021-04-08 | — | — | WO | disclosed |
| US-9732083-B2 | Tricyclic gyrase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2017-08-15 | — | — | US | disclosed |