⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1454346 | 0.77 | — | — | |
| SCHEMBL28860649 | 0.76 | — | — | |
| SCHEMBL562211 | 0.76 | TSHR (0.42) | — | |
| SCHEMBL1019320 | 0.73 | ALDH1A1 (0.38) | — | |
| SCHEMBL7803128 | 0.72 | — | — | |
| SCHEMBL648734 | 0.70 | HSD17B10 (0.34) | — | |
| SCHEMBL9139427 | 0.70 | TSHR (0.46) | — | |
| SCHEMBL1454383 | 0.70 | — | — | |
| SCHEMBL22750784 | 0.69 | — | — | |
| SCHEMBL1281054 | 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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8283455-B2 | Reagent compounds and methods of making same | LC SCIENCES LC | 2012-10-09 | — | — | US | disclosed |
| US-20110288285-A1 | Novel reagent compounds and methods of making same | LC SCIENCES LC | 2011-11-24 | — | — | US | disclosed |
| US-7923550-B2 | Reagent compounds and methods of making and using the same | LC SCIENCES LC | 2011-04-12 | — | — | US | disclosed |
| US-20070060536-A1 | Novel reagent compounds and methods of making and using the same | UNIVERSITY OF HOUSTON (US) | 2007-03-15 | — | — | US | disclosed |
| WO-2005000859-A2 | NOVEL REAGENT COMPOUNDS AND METHODS OF MAKING AND USING THE SAME | UNIVERSITY OF HOUSTON (US) | 2005-01-06 | — | — | WO | disclosed |
| CN-1150854-A | Video recording tape suitable for high speed contact copying | MINNESOTA MINING & MFG (US) | 1997-05-28 | — | — | CN | disclosed |
| US-3971807-A | BENZINDOLE | BAYER AKTIENGESELLSCHAFT (DT) | 1976-07-27 | — | — | US | disclosed |