⚠ 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL7933859 | 0.95 | HTR2A (0.32) | — | |
| Iodide SCHEMBL7929231 | 0.95 | — | — | |
| SCHEMBL4577791 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL395474 | 0.95 | — | — | |
| SCHEMBL7032645 | 0.73 | HTR2A (0.36) | — | |
| Hydrochloric Acid SCHEMBL1115870 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL719833 | 0.69 | GABRA1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL1115787 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL4890121 | 0.68 | — | — | |
| SCHEMBL1080492 | 0.67 | SIGMAR1 (0.33) | — |
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-RE37064-E1 | Process for producing styrenic polymer | IDEMITSU KOSAN CO., LTD. (JP) | 2001-02-20 | — | — | US | disclosed |