⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9245484 | 0.71 | — | — | |
| SCHEMBL155596 | 0.67 | — | — | |
| SCHEMBL10711617 | 0.67 | — | — | |
| SCHEMBL1078676 | 0.63 | — | — | |
| SCHEMBL3263840 | 0.62 | — | — | |
| SCHEMBL15759050 | 0.58 | EGLN3 (0.37) | — | |
| SCHEMBL8813819 | 0.57 | ALDH1A1 (0.31) | — | |
| SCHEMBL74453 | 0.53 | — | — | |
| SCHEMBL2513229 | 0.53 | — | — | |
| SCHEMBL5620293 | 0.51 | — | — |
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-5089499-A | Anticarcinogenic agents; thymidylate synthetase inhibitors; antiallergens; psoriasis | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-02-18 | — | — | US | disclosed |