⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4165369 | 1.00 | — | — | |
| SCHEMBL4701869 | 1.00 | — | — | |
| SCHEMBL27686008 | 0.75 | — | — | |
| Isopropylbenzene SCHEMBL27920380 | 0.75 | TSHR (0.46) | — | |
| Isopropylbenzene SCHEMBL87809 | 0.73 | TAAR1 (0.50) | — | |
| SCHEMBL908216 | 0.73 | TAAR1 (0.50) | — | |
| Isopropylbenzene SCHEMBL6568 | 0.73 | — | — | |
| SCHEMBL7499823 | 0.73 | TAAR1 (0.50) | — | |
| SCHEMBL169730 | 0.73 | TAAR1 (0.50) | — | |
| Isopropylbenzene SCHEMBL8431863 | 0.73 | TAAR1 (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-20090233913-A1 | OPTICAL ISOMERS OF DIHYDRO-2,3-BENZODIAZEPINES AND THEIR STEREOSELECTIVE SYNTHESIS | EGIS GYOGYSZERGYAR NYILVANOSAN MUKODO RESZVENYTARSASAG (HU) | 2009-09-17 | — | — | US | disclosed |
| EP-0340007-A2 | Process for preparing a ketophosphonate intermediate useful in preparing HMG-CoA reductase inhibitors | E.R. SQUIBB & SONS, INC. (US) | 1989-11-02 | — | — | EP | disclosed |
| US-4804770-A | Process for preparing a keto-phosphonate intermediate useful in preparing HMG-CoA reductase inhibitors | E. R. SQUIBB & SONS, INC. (US) | 1989-02-14 | — | — | US | disclosed |