⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8979200 | 0.80 | MEN1 (0.42) | — | |
| SCHEMBL12079646 | 0.78 | LMNA (0.39) | — | |
| SCHEMBL186371 | 0.77 | FFAR1 (0.33) | — | |
| SCHEMBL2353120 | 0.77 | MAPT (0.33) | — | |
| Hydrochloric Acid SCHEMBL8979122 | 0.77 | KDM4E (0.39) | — | |
| SCHEMBL8979188 | 0.74 | MEN1 (0.50) | — | |
| SCHEMBL3531184 | 0.73 | MAPT (0.34) | — | |
| SCHEMBL11713600 | 0.72 | — | — | |
| SCHEMBL9550958 | 0.72 | MAPT (0.33) | — | |
| SCHEMBL8639873 | 0.71 | MEN1 (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 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 |