⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1504447 | 0.65 | — | — | |
| SCHEMBL17140373 | 0.64 | TSHR (0.33) | — | |
| Bicarbonate SCHEMBL11651849 | 0.63 | — | — | |
| SCHEMBL7178369 | 0.59 | — | — | |
| Fluoromethane SCHEMBL27847246 | 0.54 | — | — | |
| SCHEMBL729698 | 0.52 | — | — | |
| SCHEMBL37752 | 0.52 | — | — | |
| SCHEMBL27553773 | 0.52 | ALDH1A1 (0.54) | — | |
| SCHEMBL7045611 | 0.50 | — | — | |
| Methyl Alcohol SCHEMBL4194049 | 0.50 | — | — |
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-5166021-A | Multilayer imaging member with charge generating and charge transport layers | XEROX CORPORATION (US) | 1992-11-24 | — | — | US | claimed |
| US-5518847-A | MULTILAYER ELEMENT WITH CONDUCTIVE SUBSTRATES, CHARGE GENERATION LAYERS, CHARGE TRANSPORT LAYERS AND REINFORCING LAYER | INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) | 1996-05-21 | — | — | US | disclosed |
| US-5166021-A | Multilayer imaging member with charge generating and charge transport layers | XEROX CORPORATION (US) | 1992-11-24 | — | — | US | disclosed |