⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8957611 | 1.00 | — | — | |
| SCHEMBL8957618 | 0.99 | — | — | |
| SCHEMBL8957603 | 0.92 | — | — | |
| SCHEMBL8957680 | 0.91 | ALDH1A1 (0.33) | — | |
| SCHEMBL8957654 | 0.91 | ALDH1A1 (0.33) | — | |
| SCHEMBL8957715 | 0.85 | ALDH1A1 (0.35) | — | |
| SCHEMBL8957645 | 0.85 | ALDH1A1 (0.35) | — | |
| SCHEMBL8957708 | 0.84 | RORC (0.36) | — | |
| SCHEMBL8957718 | 0.84 | RORC (0.36) | — | |
| SCHEMBL8957714 | 0.84 | THRB (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5556931-A | LENSES | TOKUYAMA CORPORATION (JP) | 1996-09-17 | — | — | US | claimed |
| EP-0691550-A2 | Polymerizable composition and organic glass | TOKUYAMA CORPORATION (JP) | 1996-01-10 | — | — | EP | disclosed |