⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6716975 | 0.66 | — | — | |
| SCHEMBL11526782 | 0.64 | TDP1 (0.41) | — | |
| SCHEMBL58243 | 0.61 | CYP3A4 (0.35) | — | |
| SCHEMBL96258 | 0.60 | — | — | |
| SCHEMBL6717339 | 0.59 | — | — | |
| SCHEMBL6719292 | 0.55 | — | — | |
| SCHEMBL745215 | 0.53 | CYP3A4 (0.40) | — | |
| SCHEMBL11359647 | 0.52 | CYP3A4 (0.32) | — | |
| SCHEMBL2238360 | 0.51 | CYP3A4 (0.32) | — | |
| SCHEMBL443318 | 0.51 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4160764-A | AZO ATTACHED TO AMINO AND ALKOXY SUBSTITUTED PHENYL, DYEING AND PRINTING CELLULOSE ACETATES, POLYAMIDES, POLYURETHANES, POLYOLEFINS, POLYCARBONATES, POLYESTERS | HOECHST AKTIENGESELLSCHAFT (DE) | 1979-07-10 | — | — | US | claimed |
| EP-1196466-B1 | POLYMERIZABLE COMPOSITION OF ALIPHATIC POLYOL (ALLYL CARBONATE) | PPG IND OHIO INC (US) | 2005-01-26 | — | — | EP | disclosed |
| US-6316570-B1 | FOR PRODUCING POLYMERIZATES HAVING CLARITY, GOOD FLEXIBILITY, ABRASION RESISTANCE WHICH ARE USED IN PREPARATION OF MOLDED ARTICLES SUCH AS LENSES | PPG INDUSTRIES OHIO, INC. | 2001-11-13 | — | — | US | disclosed |