⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4772063 | 0.80 | TRPM8 (0.46) | — | |
| SCHEMBL18520321 | 0.74 | — | — | |
| SCHEMBL19454784 | 0.74 | — | — | |
| SCHEMBL22641314 | 0.70 | — | — | |
| SCHEMBL8232312 | 0.69 | MEN1 (0.37) | — | |
| SCHEMBL18410900 | 0.69 | — | — | |
| SCHEMBL17212827 | 0.67 | — | — | |
| SCHEMBL11960304 | 0.67 | — | — | |
| SCHEMBL12985987 | 0.67 | — | — | |
| SCHEMBL17675803 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-110178076-B | Liquid crystal aligning agent, liquid crystal alignment film, and liquid crystal display element | 日产化学株式会社 | 2022-04-19 | — | — | CN | disclosed |
| CN-113423745-A | Method for producing polymer having compatibility with biomaterial | 日产化学株式会社 | 2021-09-21 | — | — | CN | disclosed |