⚠ 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 SCHEMBL827043 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL2720720 | 0.77 | — | — | |
| SCHEMBL8612792 | 0.72 | PRCP (0.30) | — | |
| SCHEMBL819339 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL18152940 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL292448 | 0.67 | — | — | |
| SCHEMBL27419035 | 0.67 | HSD11B1 (0.36) | — | |
| SCHEMBL27316095 | 0.67 | ELANE (0.35) | — | |
| Hydrochloric Acid SCHEMBL3355394 | 0.66 | — | — | |
| SCHEMBL27518178 | 0.66 | PSMB5 (0.35) | — |
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-8143430-B2 | Nano-linked heteronuclear metallocene catalyst compositions and their polymer products | CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) | 2012-03-27 | — | — | US | disclosed |