⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7859326 | 1.00 | — | — | |
| SCHEMBL12066539 | 0.77 | — | — | |
| SCHEMBL14049037 | 0.73 | — | — | |
| SCHEMBL19794850 | 0.72 | NOS1 (0.33) | — | |
| SCHEMBL20610953 | 0.69 | — | — | |
| SCHEMBL20642459 | 0.69 | — | — | |
| SCHEMBL3072308 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL3072304 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL22143184 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL8590517 | 0.67 | ALDH1A1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230346951-A1 | MOLECULAR DEGRADERS OF EXTRACELLULAR PROTEINS | YALE UNIVERSITY | 2023-11-02 | — | — | US | disclosed |
| US-20230312522-A1 | CYP46A1 INHIBITORS AND METHODS OF USE THEREOF | SAGE THERAPEUTICS, INC. | 2023-10-05 | — | — | US | disclosed |
| EP-3487853-B1 | BICYCLIC PROLINE COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2022-06-08 | — | — | EP | disclosed |
| EP-3256463-B1 | 1-(HET)ARYLSULFONYL-(PYRROLIDINE OR PIPERIDINE)-2-CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2019-10-09 | — | — | EP | disclosed |
| US-10381578-B2 | Organometallic compound and organic light-emitting device including the same | SAMSUNG ELECTRONICS CO., LTD. (KR) | 2019-08-13 | — | — | US | disclosed |
| US-20180125848-A1 | PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS | VIBLIOME THERAPEUTICS, LLC | 2018-05-10 | — | — | US | disclosed |
| WO-2018015410-A1 | BICYCLIC PROLINE COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2018-01-25 | — | — | WO | disclosed |