⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6674335 | 0.73 | — | — | |
| SCHEMBL7284627 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL27832169 | 0.70 | TSHR (0.39) | — | |
| SCHEMBL10754515 | 0.65 | — | — | |
| SCHEMBL13392977 | 0.65 | — | — | |
| SCHEMBL15552588 | 0.65 | DNM1 (0.38) | — | |
| SCHEMBL20036493 | 0.65 | — | — | |
| SCHEMBL11326532 | 0.63 | SQLE (0.45) | — | |
| SCHEMBL31499191 | 0.62 | — | — | |
| SCHEMBL3098989 | 0.60 | — | — |
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-20210373519-A1 | HVAC SYSTEM WITH BUILDING INFECTION CONTROL | Johnson Controls Tyco IP Holdings LLP (US) | 2021-12-02 | — | — | US | disclosed |