⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18635565 | 1.00 | — | — | |
| SCHEMBL8476503 | 1.00 | — | — | |
| SCHEMBL732484 | 0.97 | F2 (0.48) | — | |
| SCHEMBL24215799 | 0.78 | CYP1A2 (0.44) | — | |
| SCHEMBL14282887 | 0.77 | — | — | |
| SCHEMBL13545534 | 0.76 | LMNA (0.45) | — | |
| SCHEMBL9613682 | 0.74 | PHGDH (0.45) | — | |
| SCHEMBL20038170 | 0.72 | F2 (0.41) | — | |
| SCHEMBL10851994 | 0.69 | ALDH1A1 (0.38) | — | |
| SCHEMBL13963694 | 0.69 | F2 (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020154431-A1 | INHIBITORS OF SPINSTER HOMOLOG 2 (SPNS2) FOR USE IN THERAPY | LYNCH KEVIN R (US) | 2020-07-30 | — | — | WO | disclosed |