⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL432448 | 0.97 | — | — | |
| SCHEMBL805219 | 0.97 | — | — | |
| SCHEMBL12155774 | 0.97 | — | — | |
| SCHEMBL9343006 | 0.95 | SMN1; SMN2 (0.38) | — | |
| Hydrochloric Acid SCHEMBL3290648 | 0.95 | — | — | |
| SCHEMBL8829580 | 0.95 | — | — | |
| SCHEMBL28263469 | 0.95 | — | — | |
| Ethyl Chloride SCHEMBL27650306 | 0.90 | SMN1; SMN2 (0.35) | — | |
| Trifluoroacetic Acid SCHEMBL21492760 | 0.84 | POLB (0.33) | — | |
| Trifluoroacetic Acid SCHEMBL21492763 | 0.84 | POLB (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5093469-A | Alkali Metal Aminoalkanoate | IDEMITSU PETROCHEMICAL COMPANY LIMITED (JP) | 1992-03-03 | — | — | US | disclosed |
| EP-0357045-A2 | A process for preparing polyarylene sulfides | IDEMITSU PETROCHEMICAL CO. LTD. (JP) | 1990-03-07 | — | — | EP | disclosed |