⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3541972 | 0.81 | CYP3A4 (0.39) | — | |
| SCHEMBL14247048 | 0.78 | CYP3A4 (0.30) | — | |
| SCHEMBL14247050 | 0.78 | CYP3A4 (0.30) | — | |
| SCHEMBL442550 | 0.75 | CYP3A4 (0.44) | — | |
| SCHEMBL12688403 | 0.74 | POLB (0.32) | — | |
| SCHEMBL583602 | 0.74 | — | — | |
| SCHEMBL31445455 | 0.74 | — | — | |
| SCHEMBL583469 | 0.74 | APLNR (0.46) | — | |
| SCHEMBL10198265 | 0.70 | — | — | |
| SCHEMBL2080960 | 0.70 | APLNR (0.37) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230133656-A1 | HYDROGEL COMPOSITIONS AND USES THEREOF | SHOICHET, MOLLY SANDRA (CA) | 2023-05-04 | — | — | US | disclosed |
| US-20230133656-A1 | HYDROGEL COMPOSITIONS AND USES THEREOF | SHOICHET, MOLLY SANDRA (CA) | 2023-05-04 | — | — | US | disclosed |
| WO-2021038540-A1 | CYCLOALKYLIDENE CARBOXYLIC ACIDS AND DERIVATIVES AS BTK INHIBITORS | SUN PHARMA ADVANCED RESEARCH COMPANY LIMITED (IN) | 2021-03-04 | — | — | WO | disclosed |
| WO-2021000050-A1 | HYDROGEL COMPOSITIONS AND USES THEREOF | SHOICHET MOLLY SANDRA (CA) | 2021-01-07 | — | — | WO | disclosed |
| EP-2940019-B1 | SUBSTITUTED SPIROPYRIDO[1,2-a]PYRAZINE DERIVATIVE AND MEDICINAL USE THEREOF AS HIV INTEGRASE INHIBITOR | JAPAN TOBACCO INC (JP) | 2018-03-28 | — | — | EP | disclosed |