⚠ 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 SCHEMBL3682111 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL2856368 | 0.75 | — | — | |
| SCHEMBL28052634 | 0.75 | BACE1 (0.33) | — | |
| SCHEMBL4500839 | 0.74 | — | — | |
| SCHEMBL16411279 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL2865899 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL398935 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL2866561 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL2865077 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL2856190 | 0.73 | — | — |
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-20100069588-A1 | PROCESS FOR PRODUCTION OF SYNDIOTACTIC PROPYLENE POLYMER | Mitsuri Chemicals Inc. | 2010-03-18 | — | — | US | disclosed |