⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10570553 | 0.78 | CA1 (0.52) | — | |
| SCHEMBL756834 | 0.77 | TSHR (0.35) | — | |
| SCHEMBL22756786 | 0.76 | TSHR (0.36) | — | |
| SCHEMBL720606 | 0.76 | PPARA (0.48) | — | |
| Fluoride SCHEMBL28144875 | 0.75 | TSHR (0.34) | — | |
| Hydrogen Sulfide SCHEMBL28249500 | 0.75 | TSHR (0.34) | — | |
| SCHEMBL10577006 | 0.74 | PPARA (0.52) | — | |
| SCHEMBL756567 | 0.74 | — | — | |
| SCHEMBL3692254 | 0.73 | — | — | |
| SCHEMBL18570925 | 0.73 | ALDH1A1 (0.30) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10603386-B2 | Protein-polymer-drug conjugates | MERSANA THERAPEUTICS, INC. (US) | 2020-03-31 | — | — | US | disclosed |
| US-10226535-B2 | Auristatin compounds and conjugates thereof | MERSANA THERAPEUTICS, INC. (US) | 2019-03-12 | — | — | US | disclosed |
| US-20170348424-A1 | PROTEIN-POLYMER-DRUG CONJUGATES | MERSANA THERAPEUTICS, INC. | 2017-12-07 | — | — | US | disclosed |