⚠ 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 SCHEMBL16797823 | 0.96 | NOS3 (0.40) | — | |
| SCHEMBL3083053 | 0.79 | — | — | |
| SCHEMBL6682845 | 0.79 | — | — | |
| SCHEMBL669306 | 0.78 | — | — | |
| SCHEMBL1737490 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL167943 | 0.75 | — | — | |
| SCHEMBL1343748 | 0.75 | — | — | |
| Water SCHEMBL20837969 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL21409696 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL9847617 | 0.75 | NOS3 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014202586-A1 | DIAMINOHETEROARYL SUBSTITUTED PYRAZOLES | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2014-12-24 | — | — | WO | disclosed |
| WO-2004065305-A1 | NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON MANGANESE | UNIVERSITY OF DAYTON (US) | 2004-08-05 | — | — | WO | disclosed |