⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9564291 | 0.79 | TP53 (0.32) | — | |
| SCHEMBL8924369 | 0.79 | — | — | |
| SCHEMBL4761816 | 0.77 | — | — | |
| Phosphoric Acid SCHEMBL27548561 | 0.77 | PGK1 (0.48) | — | |
| SCHEMBL9685808 | 0.76 | LAP3 (0.36) | — | |
| SCHEMBL9564305 | 0.76 | PLA2G2A (0.41) | — | |
| SCHEMBL7048413 | 0.73 | ALDH1A1 (0.41) | — | |
| SCHEMBL15356351 | 0.71 | SAT1 (0.36) | — | |
| SCHEMBL17715424 | 0.71 | SMN1; SMN2 (0.47) | — | |
| SCHEMBL9962912 | 0.71 | SMN1; SMN2 (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0523991-A1 | High resiliency polyurethane foams with improved static fatigue | ARCO CHEMICAL TECHNOLOGY, INC. (US) | 1993-01-20 | — | — | EP | disclosed |
| US-5157056-A | Contains phosphorous compounds | ARCO CHEMICAL TECHNOLOGY, L.P. (US) | 1992-10-20 | — | — | US | disclosed |