⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL90401 | 0.67 | — | — | |
| SCHEMBL22928759 | 0.67 | — | — | |
| SCHEMBL10869406 | 0.63 | — | — | |
| SCHEMBL1220288 | 0.62 | — | — | |
| SCHEMBL1220287 | 0.62 | — | — | |
| SCHEMBL16232096 | 0.62 | — | — | |
| SCHEMBL4027926 | 0.62 | ALDH1A1 (0.33) | — | |
| SCHEMBL20919200 | 0.60 | MEN1 (0.31) | — | |
| SCHEMBL1823832 | 0.60 | — | — | |
| SCHEMBL1817826 | 0.60 | — | — |
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-5145926-A | Poly(indane ethers) | ALLIED-SIGNAL INC. (US) | 1992-09-08 | — | — | US | disclosed |