⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9551591 | 0.72 | — | — | |
| Isobutane SCHEMBL30260038 | 0.72 | — | — | |
| SCHEMBL16249962 | 0.72 | — | — | |
| SCHEMBL582125 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL27469407 | 0.67 | — | — | |
| SCHEMBL13370578 | 0.67 | — | — | |
| SCHEMBL19850354 | 0.67 | — | — | |
| Water SCHEMBL28361149 | 0.67 | — | — | |
| Isopropylamine SCHEMBL13415136 | 0.62 | — | — | |
| SCHEMBL10680068 | 0.62 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120046223-A1 | EXOGENOUSLY TRIGGERED CONTROLLED RELEASE MATERIALS AND USES THEREOF | SMARTCELLS, INC. | 2012-02-23 | — | — | US | disclosed |
| US-20110281792-A1 | BINDING-SITE MODIFIED LECTINS AND USES THEREOF | SMARTCELLS, INC. | 2011-11-17 | — | — | US | disclosed |
| US-20110281939-A1 | POLYNUCLEOTIDE APTAMER-BASED CROSS-LINKED MATERIALS AND USES THEREOF | SMARTCELLS, INC. | 2011-11-17 | — | — | US | disclosed |
| US-20110281791-A1 | CRYSTALLINE INSULIN-CONJUGATES | SMARTCELLS, INC. | 2011-11-17 | — | — | US | disclosed |
| US-20110275560-A1 | SYNTHETIC CONJUGATES AND USES THEREOF | SMARTCELLS, INC. | 2011-11-10 | — | — | US | disclosed |