⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8535654 | 0.72 | — | — | |
| SCHEMBL14101397 | 0.67 | — | — | |
| SCHEMBL21142104 | 0.65 | — | — | |
| SCHEMBL11821885 | 0.59 | — | — | |
| SCHEMBL13955862 | 0.55 | TSHR (0.38) | — | |
| SCHEMBL14539836 | 0.52 | — | — | |
| SCHEMBL21010975 | 0.49 | — | — | |
| Butane SCHEMBL9292387 | 0.42 | TSHR (0.50) | — | |
| Butane SCHEMBL1734106 | 0.42 | — | — | |
| Butane SCHEMBL8628663 | 0.42 | TSHR (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 |
|---|---|---|---|---|---|---|---|
| EP-1115702-A4 | SUBSTITUTED NITROGEN AND SULFUR ALICYCLIC COMPOUNDS, INCLUDING METHODS FOR SYNTHESIS THEREOF | MILLENNIUM PHARM INC (US) | 2002-04-17 | — | — | EP | claimed |
| EP-1115702-A1 | SUBSTITUTED NITROGEN AND SULFUR ALICYCLIC COMPOUNDS, INCLUDING METHODS FOR SYNTHESIS THEREOF | Millennium Pharmaceuticals, Inc. (US) | 2001-07-18 | — | — | EP | claimed |
| WO-2000001670-A1 | SUBSTITUTED NITROGEN AND SULFUR ALICYCLIC COMPOUNDS, INCLUDING METHODS FOR SYNTHESIS THEREOF | LEUKOSITE, INC. (US) | 2000-01-13 | — | — | WO | claimed |