⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1921548 | 0.97 | — | — | |
| SCHEMBL7595068 | 0.97 | — | — | |
| SCHEMBL1590050 | 0.94 | — | — | |
| SCHEMBL7092366 | 0.94 | — | — | |
| SCHEMBL11041272 | 0.94 | — | — | |
| SCHEMBL646232 | 0.94 | — | — | |
| SCHEMBL1589682 | 0.94 | — | — | |
| SCHEMBL1590471 | 0.94 | — | — | |
| Bromide SCHEMBL27770407 | 0.91 | — | — | |
| SCHEMBL27433146 | 0.91 | — | — |
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-60202835-A | — | — | None | — | — | JP | disclosed |
| JP-S60202835-A | PREPARATION OF 3-METHYLPENTANE-1,5-DIOL | KURARAY CO LTD | 1985-10-14 | — | — | JP | disclosed |