⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18910654 | 0.82 | HRH4 (0.32) | — | |
| SCHEMBL20375682 | 0.78 | NOS1 (0.33) | — | |
| SCHEMBL23661911 | 0.77 | CYP1A2 (0.36) | — | |
| SCHEMBL20832608 | 0.76 | PGR (0.38) | — | |
| SCHEMBL22639289 | 0.74 | ESR1 (0.36) | — | |
| SCHEMBL6560519 | 0.71 | GABRA1 (0.42) | — | |
| SCHEMBL29332958 | 0.71 | RXRA (0.32) | — | |
| SCHEMBL24849264 | 0.69 | — | — | |
| SCHEMBL21653572 | 0.69 | — | — | |
| SCHEMBL22374290 | 0.68 | ESR1 (0.31) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10626087-B2 | Indoline and tetrahydroquinoline sulfonyl inhibitors of dimetalloenzymes and use of the same | LOYOLA UNIVERSITY OF CHICAGO (US) | 2020-04-21 | — | — | US | disclosed |
| US-20190084932-A1 | INDOLINE AND TETRAHYDROQUINOLINE SULFONYL INHIBITORS OF DIMETALLOENZYMES AND USE OF THE SAME | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM | 2019-03-21 | — | — | US | disclosed |