⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6754625 | 0.80 | — | — | |
| SCHEMBL29242517 | 0.77 | ALDH1A1 (0.42) | — | |
| SCHEMBL6709817 | 0.74 | — | — | |
| SCHEMBL27323192 | 0.72 | — | — | |
| SCHEMBL10756871 | 0.72 | ALDH1A1 (0.35) | — | |
| SCHEMBL810581 | 0.72 | — | — | |
| SCHEMBL8597555 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL7410573 | 0.72 | — | — | |
| SCHEMBL28995033 | 0.72 | MAPT (0.64) | — | |
| SCHEMBL27988412 | 0.70 | MAPT (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 |
|---|---|---|---|---|---|---|---|
| JP-4292605-A | — | — | None | — | — | JP | disclosed |
| JP-H04292605-A | FLUOROALKYLATED POLYMER BEAD | NIPPON OIL & FATS CO LTD | 1992-10-16 | — | — | JP | disclosed |