⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31121768 | 0.77 | — | — | |
| SCHEMBL4142999 | 0.74 | — | — | |
| SCHEMBL21634496 | 0.66 | MTNR1A (0.40) | — | |
| SCHEMBL20190481 | 0.65 | SMN1; SMN2 (0.41) | — | |
| SCHEMBL20196513 | 0.65 | DUT (0.48) | — | |
| SCHEMBL20193324 | 0.65 | SMN1; SMN2 (0.40) | — | |
| SCHEMBL17369449 | 0.62 | RIPK1 (0.32) | — | |
| SCHEMBL28448290 | 0.62 | CTSL (0.35) | — | |
| SCHEMBL28743217 | 0.61 | CTSL (0.34) | — | |
| SCHEMBL21634527 | 0.61 | DRD2 (0.41) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112424680-A | Light-shielding sealant for liquid crystal dropping process and method for manufacturing liquid crystal display panel using same | 三井化学株式会社 | 2021-02-26 | — | — | CN | disclosed |