⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8387200 | 0.79 | — | — | |
| SCHEMBL4540779 | 0.76 | ALDH1A1 (0.35) | — | |
| SCHEMBL5444843 | 0.74 | — | — | |
| SCHEMBL7534863 | 0.74 | — | — | |
| SCHEMBL3247395 | 0.73 | DNM1 (0.45) | — | |
| SCHEMBL3243536 | 0.73 | DNM1 (0.45) | — | |
| Hydrochloric Acid SCHEMBL18864286 | 0.72 | THRB (0.38) | — | |
| SCHEMBL11126759 | 0.71 | TSHR (0.36) | — | |
| SCHEMBL770792 | 0.70 | — | — | |
| SCHEMBL4820365 | 0.70 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110009512-A1 | REDUCTION OF ALDEHYDES IN AMINES | HUNTSMAN PETROCHEMICAL LLC (US) | 2011-01-13 | — | — | US | claimed |
| US-20110009512-A1 | REDUCTION OF ALDEHYDES IN AMINES | HUNTSMAN PETROCHEMICAL LLC (US) | 2011-01-13 | — | — | US | disclosed |
| EP-1068959-A1 | WATER RESISTANCE IMPROVING AGENT FOR INKJET RECORDING PAPER AND INKJET RECORDING PAPER | Nicca Chemical Co., Ltd. (JP) | 2001-01-17 | — | — | EP | disclosed |
| US-5204375-A | Betaine surface active agent having an estolide hydrophobic group | ITOH SEIYU KABUSHIKI KAISHA (JP) | 1993-04-20 | — | — | US | disclosed |