⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11131467 | 0.85 | HRH3 (0.31) | — | |
| SCHEMBL4964290 | 0.81 | GABRR1 (0.30) | — | |
| SCHEMBL25795374 | 0.80 | CYP2C9 (0.31) | — | |
| SCHEMBL19068672 | 0.79 | — | — | |
| Piperazine SCHEMBL6886772 | 0.76 | HRH3 (0.30) | — | |
| SCHEMBL17723432 | 0.74 | SI (0.41) | — | |
| Hydrochloric Acid SCHEMBL19583045 | 0.73 | SI (0.40) | — | |
| SCHEMBL14279956 | 0.72 | — | — | |
| SCHEMBL1404070 | 0.71 | — | — | |
| SCHEMBL1401472 | 0.68 | SLC6A12 (0.59) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023120039-A1 | SOLAR CELL ELEMENT COATING COMPOSITION AND SOLAR CELL MODULE | 信越化学工業株式会社 | 2023-06-29 | — | — | WO | disclosed |
| EP-3712198-B1 | METHODS OF MAKING MERCAPTANIZED VINYLNORBORNENE COMPOSITIONS | CHEVRON PHILLIPS CHEMICAL CO LP (US) | 2023-05-10 | — | — | EP | disclosed |