⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21100046 | 0.84 | ALDH1A1 (0.35) | — | |
| SCHEMBL26382115 | 0.84 | HSD11B1 (0.34) | — | |
| SCHEMBL19543010 | 0.81 | — | — | |
| SCHEMBL15498540 | 0.78 | KMT2A (0.30) | — | |
| SCHEMBL24297264 | 0.78 | — | — | |
| SCHEMBL1697333 | 0.77 | — | — | |
| SCHEMBL27293104 | 0.77 | CA12 (0.35) | — | |
| SCHEMBL10212356 | 0.76 | BHMT (0.37) | — | |
| SCHEMBL25475800 | 0.76 | ALDH1A1 (0.40) | — | |
| SCHEMBL15498610 | 0.76 | TDP1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230263900-A1 | DENDRIMER-DRUG CONJUGATE | STARPHARMA PTY LTD (AU) | 2023-08-24 | — | — | US | disclosed |