⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19257658 | 1.00 | — | — | |
| SCHEMBL2906775 | 0.86 | PARP1 (0.34) | — | |
| SCHEMBL2712442 | 0.86 | PARP1 (0.34) | — | |
| SCHEMBL19255876 | 0.86 | PARP1 (0.34) | — | |
| Hydrochloric Acid SCHEMBL14675869 | 0.85 | PARP1 (0.33) | — | |
| SCHEMBL5271302 | 0.85 | ALDH1A1 (0.35) | — | |
| Hydrochloric Acid SCHEMBL28060430 | 0.85 | PARP1 (0.33) | — | |
| SCHEMBL19255950 | 0.85 | ALDH1A1 (0.35) | — | |
| SCHEMBL19257650 | 0.78 | — | — | |
| SCHEMBL28616020 | 0.78 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110072855-A | Therapeutic compound and its application method | 基因泰克公司 | 2019-07-30 | — | — | CN | disclosed |
| WO-2017134547-A1 | TUBULYSIN ANALOGS AND METHODS FOR THEIR PREPARATION | PFIZER INC. (US) | 2017-08-10 | — | — | WO | disclosed |