⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL730714 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL9393513 | 0.95 | — | — | |
| SCHEMBL4661726 | 0.95 | — | — | |
| Water SCHEMBL27523845 | 0.95 | — | — | |
| SCHEMBL30940538 | 0.95 | — | — | |
| SCHEMBL28174902 | 0.78 | NPC1 (0.32) | — | |
| SCHEMBL27671880 | 0.72 | — | — | |
| SCHEMBL28175602 | 0.72 | — | — | |
| SCHEMBL15286437 | 0.67 | — | — | |
| SCHEMBL30148658 | 0.63 | — | — |
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-4377706-A | FOR EXAMBLE, METHYLDIMETHOXYISOPROPENOXYSILANE, BY REACTION OF A POLYALKOXYSILANE AND A KETONE | GENERAL ELECTRIC COMPANY (US) | 1983-03-22 | — | — | US | claimed |
| JP-53015309-A | — | — | None | — | — | JP | disclosed |
| JP-S5315309-A | CONTINUOUS PREPARATION OF CARBOXYLIC ACID ESTERS | AGENCY OF IND SCIENCE & TECHNOL | 1978-02-13 | — | — | JP | disclosed |