⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5694447 | 0.94 | — | — | |
| SCHEMBL1334687 | 0.69 | — | — | |
| Octane SCHEMBL28018307 | 0.67 | TSHR (0.38) | — | |
| Octane SCHEMBL27651638 | 0.66 | TSHR (0.36) | — | |
| SCHEMBL2589096 | 0.64 | PTGS2 (0.36) | — | |
| SCHEMBL2589165 | 0.64 | PTGS2 (0.36) | — | |
| SCHEMBL1539757 | 0.64 | PTGS2 (0.36) | — | |
| Tetradecane SCHEMBL28024811 | 0.64 | TSHR (0.35) | — | |
| SCHEMBL9149230 | 0.64 | PTGS2 (0.36) | — | |
| SCHEMBL18166883 | 0.64 | PTGS2 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6465669-B1 | MONOPROPYL OR MONOBUTYL-SUBSTITUTED RUTHENOCENE; USED FOR FORMING THIN FILM ELECTRODE MATERIAL USED IN SEMICONDUCTOR DEVICES AND PARTS. | TANAKA KIKINZOKU KOGYO K.K. (JP) | 2002-10-15 | — | — | US | disclosed |
| EP-1083161-A1 | ORGANOMETALLIC COMPOUNDS FOR VAPOR-PHASE EPITAXY OF ORGANOMETAL | Tanaka Kikinzoku Kogyo K.K. (JP) | 2001-03-14 | — | — | EP | disclosed |