⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27390338 | 0.83 | GABRA1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL8459465 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL8460983 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL8458733 | 0.78 | — | — | |
| SCHEMBL27477290 | 0.77 | — | — | |
| SCHEMBL27479742 | 0.76 | — | — | |
| SCHEMBL27495447 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL27495435 | 0.75 | — | — | |
| Bromide SCHEMBL27546908 | 0.71 | GABRA1 (0.31) | — | |
| SCHEMBL797256 | 0.71 | — | — |
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-0837866-A1 | PROCESS FOR CONVERTING THE ACHIRAL MESO FORM OR THE RACEMATE OF AN ANSA-METALLOCENE COMPLEX OR MIXTURES THEREOF INTO ONE OF ITS ENANTIOMERS | BASF AKTIENGESELLSCHAFT (DE) | 1998-04-29 | — | — | EP | disclosed |
| WO-1997003081-A1 | PROCESS FOR CONVERTING THE ACHIRAL MESO FORM OR THE RACEMATE OF AN ANSA-METALLOCENE COMPLEX OR MIXTURES THEREOF INTO ONE OF ITS ENANTIOMERS | BASF AKTIENGESELLSCHAFT (DE) | 1997-01-30 | — | — | WO | disclosed |