⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1758940 | 0.82 | IDO1 (0.33) | — | |
| SCHEMBL27798673 | 0.79 | IDO1 (0.32) | — | |
| Hydroquinone SCHEMBL7243335 | 0.75 | PLK1 (0.35) | — | |
| SCHEMBL20916939 | 0.73 | IDO1 (0.32) | — | |
| SCHEMBL4504188 | 0.65 | — | — | |
| SCHEMBL28942884 | 0.65 | IDO1 (0.32) | — | |
| SCHEMBL3348606 | 0.65 | MAOA (0.38) | — | |
| SCHEMBL30804593 | 0.65 | MAOA (0.38) | — | |
| SCHEMBL1248783 | 0.63 | IDO1 (0.31) | — | |
| SCHEMBL28439324 | 0.63 | IDO1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0975624-A1 | THERMOGENIC COMPOSITION AND BENZAZEPINE THERMOGENICS | Takeda Chemical Industries, Ltd. (JP) | 2000-02-02 | — | — | EP | disclosed |
| WO-1998046590-A1 | THERMOGENIC COMPOSITION AND BENZAZEPINE THERMOGENICS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-10-22 | — | — | WO | disclosed |