⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8137649 | 0.80 | — | — | |
| SCHEMBL7405162 | 0.79 | CA12 (0.35) | — | |
| SCHEMBL7587454 | 0.76 | CHRM2 (0.34) | — | |
| SCHEMBL71589 | 0.75 | PKM (0.39) | — | |
| SCHEMBL25296518 | 0.74 | — | — | |
| SCHEMBL29052233 | 0.73 | ALDH1A1 (0.37) | — | |
| SCHEMBL7216698 | 0.73 | — | — | |
| SCHEMBL31591139 | 0.73 | ALDH1A1 (0.37) | — | |
| SCHEMBL14764516 | 0.72 | CHRM2 (0.41) | — | |
| Methane SCHEMBL28946775 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116675731-A | Small molecule conjugate of targeted cyclin-dependent kinase 12/13 and application thereof | 浙江大学 | 2023-09-01 | — | — | CN | disclosed |