⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL465049 | 0.90 | — | — | |
| Cyclohexane SCHEMBL9243498 | 0.81 | TSHR (0.32) | — | |
| SCHEMBL483266 | 0.75 | — | — | |
| SCHEMBL6063321 | 0.75 | — | — | |
| Hydroxyl Radical SCHEMBL8399503 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL9227779 | 0.71 | — | — | |
| 1,4-Butanediol SCHEMBL23581911 | 0.71 | SMN1; SMN2 (0.35) | — | |
| 1,3-Propanediol SCHEMBL21332492 | 0.71 | — | — | |
| Triethylene Glycol SCHEMBL2834292 | 0.65 | MEN1 (0.61) | — | |
| SCHEMBL16318564 | 0.65 | — | — |
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-0919595-B1 | MOLDING RESIN COMPOSITION | MITSUI CHEMICALS INC (JP) | 2006-04-26 | — | — | EP | disclosed |
| US-6221961-B1 | Molding resin composition | MITSUI CHEMICALS, INC. (JP) | 2001-04-24 | — | — | US | disclosed |