⚠ 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 | |
|---|---|---|---|---|
| Ethylamine SCHEMBL16782932 | 0.78 | — | — | |
| SCHEMBL1225213 | 0.77 | — | — | |
| SCHEMBL11231401 | 0.76 | LMNA (0.30) | — | |
| SCHEMBL25397012 | 0.74 | — | — | |
| SCHEMBL29046762 | 0.74 | — | — | |
| SCHEMBL104938 | 0.73 | — | — | |
| SCHEMBL1225138 | 0.72 | — | — | |
| Water SCHEMBL27978220 | 0.70 | — | — | |
| SCHEMBL31152653 | 0.69 | ADRB2 (0.33) | — | |
| SCHEMBL14632623 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102030883-B | High-functionality polyisocyanates containing allophanate and silane groups | BAYER MATERIALSCIENCE AG | 2015-02-11 | — | — | CN | disclosed |
| CN-104220470-A | Block copolymer, process and composition | DSM IP ASSETS BV | 2014-12-17 | — | — | CN | disclosed |
| CN-103608703-A | Radiation-sensitive composition, method for forming pattern, color filter and method for producing the same, and solid-state image sensor | FUJIFILM CORP | 2014-02-26 | — | — | CN | disclosed |