⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19541104 | 0.69 | ALDH1A1 (0.30) | — | |
| SCHEMBL22761684 | 0.69 | — | — | |
| SCHEMBL1046637 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL4697105 | 0.62 | MAPT (0.40) | — | |
| SCHEMBL6126271 | 0.60 | — | — | |
| SCHEMBL246883 | 0.59 | — | — | |
| SCHEMBL10486710 | 0.59 | MAPT (0.34) | — | |
| SCHEMBL22487225 | 0.55 | — | — | |
| SCHEMBL1046636 | 0.55 | — | — | |
| SCHEMBL20325206 | 0.55 | — | — |
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-20210238225-A1 | PEPTIDOMIMETIC INHIBITORS OF THE PEPTIDYL-PROLYL CIS/TRANS ISOMERASE (PIN1) | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2021-08-05 | — | — | US | disclosed |