⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30496076 | 0.62 | — | — | |
| SCHEMBL21139396 | 0.58 | — | — | |
| SCHEMBL17185618 | 0.52 | — | — | |
| SCHEMBL31626447 | 0.51 | — | — | |
| SCHEMBL10339550 | 0.45 | — | — | |
| SCHEMBL21601489 | 0.45 | — | — | |
| SCHEMBL11809662 | 0.41 | — | — | |
| SCHEMBL8726716 | 0.40 | — | — | |
| SCHEMBL10338943 | 0.40 | — | — | |
| SCHEMBL6718535 | 0.37 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-117126126-A | Method for asymmetrically synthesizing adjacent halohydrin compound | 凯特立斯（深圳）科技有限公司 | 2023-11-28 | — | — | CN | disclosed |