⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11625371 | 1.00 | — | — | |
| SCHEMBL28241853 | 0.81 | — | — | |
| SCHEMBL11569580 | 0.77 | — | — | |
| SCHEMBL11569575 | 0.77 | — | — | |
| SCHEMBL8051228 | 0.73 | — | — | |
| SCHEMBL28863405 | 0.71 | — | — | |
| SCHEMBL11345670 | 0.71 | — | — | |
| SCHEMBL11345664 | 0.71 | — | — | |
| SCHEMBL11436431 | 0.70 | — | — | |
| SCHEMBL11436428 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4113968-A | FROM A 1-HALO-3-ALKENE-2-OL | KURARAY CO., LTD. (JP) | 1978-09-12 | — | — | US | claimed |
| US-4113968-A | FROM A 1-HALO-3-ALKENE-2-OL | KURARAY CO., LTD. (JP) | 1978-09-12 | — | — | US | disclosed |