⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8359313 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL8361238 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL8356992 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL8361210 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL8361216 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL8361277 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL8355727 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL8456608 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL8357783 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL8458143 | 0.80 | — | — |
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-0837865-A1 | PROCESS FOR CONVERTING THE ACHIRAL MESO FORM OF AN ANSA-METALLOCENE COMPLEX INTO THE CHIRAL RACEMIC FORM | BASF AKTIENGESELLSCHAFT (DE) | 1998-04-29 | — | — | EP | disclosed |
| WO-1997003080-A1 | PROCESS FOR CONVERTING THE ACHIRAL MESO FORM OF AN ANSA-METALLOCENE COMPLEX INTO THE CHIRAL RACEMIC FORM | BASF AKTIENGESELLSCHAFT (DE) | 1997-01-30 | — | — | WO | disclosed |