⚠ 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 | |
|---|---|---|---|---|
| Propiolic Acid SCHEMBL7788199 | 0.85 | — | — | |
| Propiolic Acid SCHEMBL9127486 | 0.79 | — | — | |
| Propylamine SCHEMBL2566924 | 0.78 | — | — | |
| Propylamine SCHEMBL27636338 | 0.78 | HDAC1 (0.44) | — | |
| Propiolic Acid SCHEMBL28619838 | 0.77 | — | — | |
| Acetic Acid SCHEMBL25215621 | 0.76 | FFAR3 (0.50) | — | |
| Oxalic Acid SCHEMBL2110681 | 0.76 | ALOX15 (0.48) | — | |
| Oxalic Acid SCHEMBL10594746 | 0.76 | ALOX15 (0.48) | — | |
| Propylamine SCHEMBL15456238 | 0.76 | — | — | |
| Acetic Acid SCHEMBL25240316 | 0.76 | FFAR3 (0.50) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007041584-A2 | IMPLANTABLE SENSORS, IMPLANTABLE PUMPS, AND ANTI-SCARRING DRUG COMBINATIONS | COMBINATORX, INCORPORATED (US) | 2007-04-12 | — | — | WO | disclosed |
| WO-2007041593-A2 | ANTI-SCARRING DRUG COMBINATIONS AND USE THEREOF | COMBINATORX, INCORPORATED (US) | 2007-04-12 | — | — | WO | disclosed |