⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL294922 | 0.82 | — | — | |
| SCHEMBL293870 | 0.79 | — | — | |
| SCHEMBL11390520 | 0.76 | ALDH1A1 (0.31) | — | |
| SCHEMBL11390524 | 0.76 | ALDH1A1 (0.31) | — | |
| SCHEMBL4277832 | 0.75 | — | — | |
| SCHEMBL1698052 | 0.75 | KMT2A (0.41) | — | |
| SCHEMBL15167313 | 0.74 | — | — | |
| SCHEMBL2012222 | 0.73 | — | — | |
| SCHEMBL5611018 | 0.72 | ALOX15 (0.33) | — | |
| SCHEMBL8768351 | 0.72 | GGPS1 (0.31) | — |
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-56029531-A | — | — | None | — | — | JP | disclosed |
| JP-S5629531-A | 5,5-DIHALO-2-METHYL-2-HEXENE OR 5-HALO-2-METHYL-2,4-HEXADIENE AND PREPARATION OF 5,5-DIHALO-2-METHYL-2-HEXENE | SANKYO CO LTD | 1981-03-24 | — | — | JP | disclosed |