⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19548423 | 0.72 | LOX (0.30) | — | |
| SCHEMBL17800966 | 0.67 | GBA1 (0.36) | — | |
| SCHEMBL5566616 | 0.67 | — | — | |
| SCHEMBL30539298 | 0.67 | — | — | |
| SCHEMBL8588575 | 0.66 | CASP1 (0.37) | — | |
| SCHEMBL7219509 | 0.66 | — | — | |
| SCHEMBL11782541 | 0.63 | — | — | |
| SCHEMBL17931749 | 0.58 | — | — | |
| SCHEMBL20551151 | 0.56 | KDM1A (0.41) | — | |
| SCHEMBL5566610 | 0.54 | — | — |
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-3941732-A | 3,9-(2-HYDRAZIDOETHYL)-2,4,8,10-TETRAOXASPIRO-(5,5)-UNDECANE STIFFENER | BRIDGESTONE TIRE COMPANY LIMITED (JA) | 1976-03-02 | — | — | US | claimed |