⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13497810 | 0.80 | — | — | |
| SCHEMBL28566281 | 0.79 | — | — | |
| SCHEMBL18606078 | 0.79 | — | — | |
| SCHEMBL9070029 | 0.74 | — | — | |
| SCHEMBL1322699 | 0.71 | — | — | |
| SCHEMBL7100950 | 0.70 | — | — | |
| SCHEMBL7596908 | 0.70 | — | — | |
| SCHEMBL6905416 | 0.69 | — | — | |
| SCHEMBL16247950 | 0.69 | — | — | |
| SCHEMBL20960294 | 0.69 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5552507-A | DI-(3-ISOCYANATOPROPYL) MALONIC ACID DIESTERS, MONOMERS FOR POLYURETHANES OR POLYUREAS THAT ARE PHOTOSTABLE AND WEATHER RESISTANT | BAYER AKTIENGESELLSCHAFT (DE) | 1996-09-03 | — | — | US | disclosed |