⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL779294 | 0.82 | — | — | |
| SCHEMBL1867473 | 0.78 | ALDH1A1 (0.42) | — | |
| SCHEMBL9183806 | 0.78 | ALDH1A1 (0.42) | — | |
| SCHEMBL17512166 | 0.73 | — | — | |
| SCHEMBL9077594 | 0.72 | ALDH1A1 (0.39) | — | |
| SCHEMBL15908558 | 0.71 | — | — | |
| SCHEMBL31309511 | 0.71 | ALDH1A1 (0.34) | — | |
| SCHEMBL18348903 | 0.69 | — | — | |
| SCHEMBL22396355 | 0.69 | TSHR (0.48) | — | |
| SCHEMBL1402297 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-116829989-A | Photocurable composition, cured product thereof, and optical material containing the cured product | 三菱瓦斯化学株式会社 | 2023-09-29 | — | — | CN | disclosed |
| CN-107735429-B | Photocurable composition and optical material | 三菱瓦斯化学株式会社 | 2021-05-07 | — | — | CN | disclosed |
| US-10793779-B2 | Method for separating soluble organic matter in petroleum coke | SHANDONG CHAMBROAD PETROCHEMICALS CO., LTD. (CN) | 2020-10-06 | — | — | US | disclosed |
| EP-3599283-A1 | METHOD FOR ASSESSING FECAL POLLUTION IN WATER | Blue DNA Companion (FR) | 2020-01-29 | — | — | EP | disclosed |
| US-20190078025-A1 | METHOD FOR SEPARATING SOLUBLE ORGANIC MATTER IN PETROLEUM COKE | SHANDONG CHAMBROAD PETROCHEMICALS CO., LTD. (CN) | 2019-03-14 | — | — | US | disclosed |