⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17070584 | 0.75 | DRD2 (0.35) | — | |
| SCHEMBL16745323 | 0.75 | DRD2 (0.35) | — | |
| SCHEMBL22474451 | 0.73 | NOTUM (0.30) | — | |
| SCHEMBL16745383 | 0.72 | DRD2 (0.35) | — | |
| SCHEMBL16745471 | 0.72 | KDM4E (0.34) | — | |
| SCHEMBL16813974 | 0.69 | DRD1 (0.30) | — | |
| SCHEMBL16812578 | 0.69 | DRD1 (0.30) | — | |
| SCHEMBL14449332 | 0.67 | NOTUM (0.33) | — | |
| SCHEMBL14449340 | 0.65 | PARP1 (0.32) | — | |
| SCHEMBL14449339 | 0.64 | AKT1 (0.39) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9527862-B2 | Compounds of chiral aromatic spiroketal diphosphine ligands, preparation methods and uses thereof | SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) | 2016-12-27 | — | — | US | disclosed |
| US-9527862-B2 | Compounds of chiral aromatic spiroketal diphosphine ligands, preparation methods and uses thereof | SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) | 2016-12-27 | — | — | US | disclosed |
| US-20150252055-A1 | COMPOUNDS OF CHIRAL AROMATIC SPIROKETAL DIPHOSPHINE LIGANDS, PREPARATION METHODS AND USES THEREOF | SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) | 2015-09-10 | — | — | US | disclosed |
| US-20150252055-A1 | COMPOUNDS OF CHIRAL AROMATIC SPIROKETAL DIPHOSPHINE LIGANDS, PREPARATION METHODS AND USES THEREOF | SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) | 2015-09-10 | — | — | US | disclosed |
| EP-2876108-A1 | COMPOUNDS OF CHIRAL AROMATIC SPIROKETAL DIPHOSPHINE LIGANDS, PREPARATION METHODS AND USES THEREOF | Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) | 2015-05-27 | — | — | EP | disclosed |
| US-8957216-B2 | Heterocyclic compounds useful for kinase inhibition | AMITECH THERAPEUTIC SOLUTIONS, INC. (US) | 2015-02-17 | — | — | US | disclosed |