⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17461672 | 0.67 | — | — | |
| SCHEMBL898015 | 0.57 | — | — | |
| SCHEMBL7782772 | 0.57 | — | — | |
| Hydrochloric Acid SCHEMBL18230746 | 0.56 | — | — | |
| SCHEMBL20418131 | 0.54 | — | — | |
| SCHEMBL10013268 | 0.53 | — | — | |
| SCHEMBL320324 | 0.48 | — | — | |
| SCHEMBL9086142 | 0.48 | — | — | |
| SCHEMBL6984878 | 0.48 | — | — | |
| SCHEMBL14158450 | 0.48 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0614915-B1 | Polymer scale preventive agent | SHINETSU CHEMICAL CO (JP) | 1998-06-24 | — | — | EP | disclosed |
| US-5420214-A | Process to prevent scale adhesion using condensation product of a diamino heterocyclic and a quinone | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1995-05-30 | — | — | US | disclosed |
| EP-0614915-A1 | Polymer scale preventive agent | Shin-Etsu Chemical Co., Ltd. (JP) | 1994-09-14 | — | — | EP | disclosed |