⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2970787 | 0.81 | CYP1A2 (0.32) | — | |
| SCHEMBL2971822 | 0.81 | PTGS2 (0.31) | — | |
| SCHEMBL8164126 | 0.79 | — | — | |
| SCHEMBL2974827 | 0.78 | — | — | |
| SCHEMBL18393613 | 0.75 | MEN1 (0.31) | — | |
| SCHEMBL17060048 | 0.74 | MAPT (0.34) | — | |
| SCHEMBL6914764 | 0.73 | RAPGEF4 (0.32) | — | |
| SCHEMBL6905090 | 0.73 | — | — | |
| SCHEMBL2961303 | 0.70 | L3MBTL1 (0.32) | — | |
| SCHEMBL17147176 | 0.69 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5157182-A | Conversion of ortho-ethyltoluene to indene | AMOCO CORPORATION (US) | 1992-10-20 | — | — | US | disclosed |