⚠ 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 | |
|---|---|---|---|---|
| Pentane SCHEMBL8817245 | 0.91 | TSHR (0.64) | — | |
| Hexane SCHEMBL268437 | 0.89 | — | — | |
| Pentane SCHEMBL1234 | 0.88 | — | — | |
| Pentane SCHEMBL9633144 | 0.88 | TSHR (1.00) | — | |
| Pentane SCHEMBL9453163 | 0.88 | TSHR (1.00) | — | |
| Pentane SCHEMBL9633320 | 0.88 | TSHR (1.00) | — | |
| Pentane SCHEMBL323650 | 0.88 | TSHR (1.00) | — | |
| Pentane SCHEMBL9634178 | 0.88 | TSHR (1.00) | — | |
| Heptane SCHEMBL28189697 | 0.84 | — | — | |
| Pentane SCHEMBL8737322 | 0.84 | TSHR (0.70) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3004118-A1 | USE OF CONDENSED BENZO[B]THIAZINE DERIVATIVES AS CYTOPROTECTANTS | Aranda Pharma Ltd (FI) | 2016-04-13 | — | — | EP | disclosed |
| WO-2014191632-A1 | USE OF CONDENSED BENZO[B]THIAZINE DERIVATIVES AS CYTOPROTECTANTS | MEDEIA THERAPEUTICS LTD (FI) | 2014-12-04 | — | — | WO | disclosed |
| US-8658796-B2 | Complexes of ruthenium, method of production thereof and use thereof as (pre)catalysts of the metathesis reaction | UMICORE AG & CO. KG (DE) | 2014-02-25 | — | — | US | disclosed |
| US-20130079515-A1 | Complexes of Ruthenium, Method of Production Thereof And Use Thereof As (Pre)Catalysts of the Metathesis Reaction | UMICORE AG & CO. KG (DE) | 2013-03-28 | — | — | US | disclosed |
| US-8318965-B2 | Complex of ruthenium, method of production thereof and use thereof as (pre)catalysts of the metathesis reaction | UMICORE AG & CO. KG (DE) | 2012-11-27 | — | — | US | disclosed |
| US-20100174068-A1 | Complex of Ruthenium and Osmium, Method of Production Thereof and Use Thereof As (Pre)Catalysts of the Metathesis Reaction | UMICORE AG & CO KG (DE) | 2010-07-08 | — | — | US | disclosed |