⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26027 | 0.97 | — | — | |
| SCHEMBL28952474 | 0.95 | — | — | |
| Water SCHEMBL28352114 | 0.95 | — | — | |
| SCHEMBL11036728 | 0.84 | ALDH1A1 (0.37) | — | |
| SCHEMBL7170547 | 0.79 | — | — | |
| Maleic Anhydride SCHEMBL28653334 | 0.79 | — | — | |
| SCHEMBL10592960 | 0.77 | — | — | |
| SCHEMBL3391114 | 0.76 | — | — | |
| SCHEMBL8698500 | 0.75 | — | — | |
| SCHEMBL9450089 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1632259-A2 | Anti-angiogene compositions and methods of use | Angiotech Pharmaceuticals, Inc. (CA) | 2006-03-08 | — | — | EP | disclosed |
| US-4910015-A | Crosslinked polymer of polyethylene oxide and glycidoxypropylsiloxane | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 1990-03-20 | — | — | US | disclosed |