⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28393641 | 0.81 | FNTA (0.34) | — | |
| SCHEMBL21201763 | 0.81 | FNTA (0.34) | — | |
| SCHEMBL17469879 | 0.79 | CA2 (0.36) | — | |
| SCHEMBL7036524 | 0.77 | — | — | |
| Propene SCHEMBL21825576 | 0.77 | CA2 (0.34) | — | |
| SCHEMBL8756782 | 0.76 | CA2 (0.35) | — | |
| SCHEMBL5969210 | 0.75 | — | — | |
| Methane SCHEMBL6196689 | 0.75 | CA2 (0.33) | — | |
| SCHEMBL1258276 | 0.75 | — | — | |
| SCHEMBL562188 | 0.74 | CA2 (0.44) | — |
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-20060004084-A1 | (3Z)-3-(2,3-dihydro-1H-inden-1-ylidene)-1,3-dihydro-2H-indol-2-ones as kinase inhibitors | ALLERGAN, INC. | 2006-01-05 | — | — | US | claimed |
| WO-2016124966-A1 | INCLUSION COMPLEX BETWEEN CYCLODEXTRIN AND NON-IONIC SURFACTANTS | DRUG DISCOVERY LABORATORY AS (NO) | 2016-08-11 | — | — | WO | disclosed |
| US-20060004084-A1 | (3Z)-3-(2,3-dihydro-1H-inden-1-ylidene)-1,3-dihydro-2H-indol-2-ones as kinase inhibitors | ALLERGAN, INC. | 2006-01-05 | — | — | US | disclosed |