⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL606823 | 0.69 | — | — | |
| SCHEMBL28680935 | 0.69 | — | — | |
| SCHEMBL9134602 | 0.69 | — | — | |
| SCHEMBL2995024 | 0.69 | CA12 (0.35) | — | |
| SCHEMBL9134603 | 0.69 | — | — | |
| SCHEMBL590608 | 0.69 | — | — | |
| SCHEMBL1793940 | 0.67 | CA12 (0.33) | — | |
| SCHEMBL31423402 | 0.67 | TSHR (0.53) | — | |
| SCHEMBL11525062 | 0.65 | — | — | |
| SCHEMBL6974455 | 0.65 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9044796-B1 | Method of encapsulating waste | TDA RESEARCH, INC. (US) | 2015-06-02 | — | — | US | disclosed |
| US-5521240-A | PIGMENTS, BINDERS AND REACTION OF ALKYLENEDIAMINE, UREA, ALDEHYDE, EPIHALOHYDRIN AND AMIDE OR AMINONITRILE | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1996-05-28 | — | — | US | disclosed |
| US-4789690-A | CONTAINING AN EPOXY RESIN POLYOL | THE DOW CHEMICAL COMPANY (US) | 1988-12-06 | — | — | US | disclosed |
| EP-0232124-A2 | Polyurethane foam and process for the preparation thereof | THE DOW CHEMICAL COMPANY (US) | 1987-08-12 | — | — | EP | disclosed |