⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15429 | 0.81 | — | — | |
| SCHEMBL449847 | 0.76 | — | — | |
| SCHEMBL10480051 | 0.76 | ALDH1A1 (0.31) | — | |
| SCHEMBL3166697 | 0.76 | — | — | |
| SCHEMBL451026 | 0.74 | CHRM1 (0.32) | — | |
| SCHEMBL448596 | 0.72 | CA2 (0.35) | — | |
| SCHEMBL448243 | 0.71 | MAPT (0.40) | — | |
| SCHEMBL4698246 | 0.71 | — | — | |
| SCHEMBL4698239 | 0.71 | — | — | |
| SCHEMBL18538240 | 0.71 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0239228-B1 | POLYSILOXANE URETHANE COMPOUNDS AND ADHESIVE COMPOSITIONS, AND METHOD OF MAKING AND USING THE SAME | LOCTITE CORPORATION (US) | 1991-09-11 | — | — | EP | disclosed |
| EP-0239228-A2 | Polysiloxane urethane compounds and adhesive compositions, and method of making and using the same | LOCTITE CORPORATION (US) | 1987-09-30 | — | — | EP | disclosed |
| US-4684538-A | BONDING LOW DENSITY POLYETHYLENE | LOCTITE CORPORATION (US) | 1987-08-04 | — | — | US | disclosed |