⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13354698 | 0.79 | ALDH1A1 (0.30) | — | |
| SCHEMBL108248 | 0.79 | — | — | |
| SCHEMBL12034009 | 0.77 | OPRM1 (0.46) | — | |
| SCHEMBL28212881 | 0.76 | — | — | |
| SCHEMBL18670377 | 0.75 | — | — | |
| SCHEMBL8852617 | 0.71 | TSHR (0.31) | — | |
| SCHEMBL837006 | 0.71 | TSHR (0.41) | — | |
| SCHEMBL15302368 | 0.71 | TSHR (0.41) | — | |
| SCHEMBL839076 | 0.71 | — | — | |
| SCHEMBL13470517 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9902746-B2 | Benzoxaphosphole compounds and a process for preparation thereof | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2018-02-27 | — | — | US | disclosed |
| US-9758476-B2 | Ortho-alkynyl anilines and process for preparation thereof | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2017-09-12 | — | — | US | disclosed |
| US-20170197911-A1 | ORTHO-ALKYNYL ANILINES AND PROCESS FOR PREPARATION THEREOF | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2017-07-13 | — | — | US | disclosed |
| US-20170015691-A1 | Novel Benzoxaphosphole Compounds and a Process for Preparation Thereof | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2017-01-19 | — | — | US | disclosed |
| WO-2015198343-A1 | ORTHO-ALKYNYL ANILINES AND PROCESS FOR PREPARATION THEREOF | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2015-12-30 | — | — | WO | disclosed |
| WO-2015128878-A1 | NOVEL BENZOXAPHOSPHOLE COMPOUNDS AND A PROCESS FOR PREPARATION THEREOF | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2015-09-03 | — | — | WO | disclosed |