⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3818126 | 0.85 | PDCD1 (0.31) | — | |
| SCHEMBL8405815 | 0.85 | — | — | |
| SCHEMBL4001907 | 0.84 | PDCD1 (0.30) | — | |
| SCHEMBL7110783 | 0.82 | BRD4 (0.33) | — | |
| SCHEMBL3997088 | 0.81 | BRD4 (0.33) | — | |
| SCHEMBL7109583 | 0.81 | ABCB1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL6380724 | 0.80 | PTAFR (0.31) | — | |
| SCHEMBL8165812 | 0.80 | BRD4 (0.31) | — | |
| Hydrochloric Acid SCHEMBL27476744 | 0.80 | — | — | |
| SCHEMBL7006278 | 0.79 | GSTP1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0924322-A1 | Conjugate fibers and non-woven fabrics therefrom | Mitsui Chemicals, Inc. (JP) | 1999-06-23 | — | — | EP | disclosed |