⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL509038 | 0.79 | — | — | |
| SCHEMBL10404645 | 0.77 | — | — | |
| SCHEMBL982182 | 0.77 | — | — | |
| SCHEMBL10769846 | 0.77 | — | — | |
| SCHEMBL29450676 | 0.77 | — | — | |
| SCHEMBL7261441 | 0.76 | CA1 (0.32) | — | |
| SCHEMBL3424417 | 0.76 | CA1 (0.41) | — | |
| SCHEMBL6941615 | 0.74 | CA1 (0.35) | — | |
| SCHEMBL20574449 | 0.74 | CA1 (0.31) | — | |
| SCHEMBL2794842 | 0.74 | TSHR (0.39) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4980433-A | WATER SOLUBLE POLYMER; WATER TREATMENT | BETZ LABORATORIES, INC. (US) | 1990-12-25 | — | — | US | disclosed |
| US-4913880-A | CORROSION RESISTANCE | BETZ LABORATORIES, INC. (US) | 1990-04-03 | — | — | US | disclosed |
| US-4906383-A | Novel amine-containing copolymers and their use | BETZ LABORATORIES, INC. (US) | 1990-03-06 | — | — | US | disclosed |
| US-4898684-A | ANTISCALING AGENTS USED IN WATER TREATMENT SYSTEMS | BETZ LABORATORIES, INC. (US) | 1990-02-06 | — | — | US | disclosed |
| US-4868263-A | ANTISCALING AGENTS | BETZ LABORATORIES, INC. (US) | 1989-09-19 | — | — | US | disclosed |