⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3057682 | 0.84 | MGAM (0.41) | — | |
| SCHEMBL3080366 | 0.81 | — | — | |
| SCHEMBL17198918 | 0.78 | RAB9A (0.43) | — | |
| SCHEMBL1579477 | 0.76 | — | — | |
| Biguanide SCHEMBL29001087 | 0.76 | ALOX15 (0.68) | — | |
| SCHEMBL8931227 | 0.75 | — | — | |
| Biguanide SCHEMBL29047761 | 0.75 | ALOX15 (0.65) | — | |
| SCHEMBL19302931 | 0.73 | — | — | |
| SCHEMBL8670204 | 0.73 | — | — | |
| Biguanide SCHEMBL9846419 | 0.72 | ALDH1A1 (0.32) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5384385-A | Adhesives | BAYER AKTIENGESELLSCHAFT (DE) | 1995-01-24 | — | — | US | disclosed |
| EP-0543250-A1 | Reactive masses of two-component polyurethanes | BAYER AG (DE) | 1993-05-26 | — | — | EP | disclosed |