⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17060910 | 0.76 | P4HTM (0.37) | — | |
| SCHEMBL17060912 | 0.76 | P4HTM (0.37) | — | |
| SCHEMBL22122701 | 0.73 | CYP1A1 (0.46) | — | |
| SCHEMBL15285101 | 0.69 | P4HA1 (0.46) | — | |
| SCHEMBL27934647 | 0.68 | KDM4E (0.37) | — | |
| SCHEMBL27951171 | 0.67 | ALDH1A1 (0.38) | — | |
| SCHEMBL15469207 | 0.67 | HSD17B10 (0.47) | — | |
| SCHEMBL20339315 | 0.67 | HSD17B10 (0.47) | — | |
| SCHEMBL22122715 | 0.67 | SMN1; SMN2 (0.43) | — | |
| SCHEMBL16562887 | 0.67 | NAMPT (0.43) | — |
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-112672996-B | Heterocyclic azide units and their use in polymeric coatings | 伊鲁米纳剑桥有限公司 | 2024-01-05 | — | — | CN | disclosed |