⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1772945 | 0.78 | — | — | |
| SCHEMBL17140328 | 0.75 | — | — | |
| SCHEMBL5697617 | 0.72 | ALDH1A1 (0.30) | — | |
| SCHEMBL5703591 | 0.72 | — | — | |
| SCHEMBL7468026 | 0.72 | — | — | |
| SCHEMBL29687165 | 0.72 | ALDH1A1 (0.30) | — | |
| SCHEMBL3876891 | 0.72 | — | — | |
| SCHEMBL8399201 | 0.72 | — | — | |
| SCHEMBL10801543 | 0.71 | — | — | |
| SCHEMBL2967239 | 0.69 | ALDH1A1 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-5032713-A | — | — | None | — | — | JP | disclosed |
| JP-H0532713-A | PRODUCTION OF TERMINAL FUNCTIONAL GROUP-CONTAINING POLYMER | KURARAY CO LTD | 1993-02-09 | — | — | JP | disclosed |