⚠ 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 | |
|---|---|---|---|---|
| Urea SCHEMBL28214731 | 0.98 | KDM4E (0.37) | — | |
| SCHEMBL6284235 | 0.95 | KDM4E (0.44) | — | |
| SCHEMBL6284516 | 0.93 | KDM4E (0.48) | — | |
| SCHEMBL1309431 | 0.87 | TDP1 (0.42) | — | |
| SCHEMBL6284265 | 0.85 | TSHR (0.39) | — | |
| SCHEMBL6286323 | 0.84 | — | — | |
| SCHEMBL1837224 | 0.81 | KDM4E (0.48) | — | |
| SCHEMBL12522288 | 0.80 | KDM4E (0.64) | — | |
| SCHEMBL11231320 | 0.79 | EPHX1 (0.54) | — | |
| SCHEMBL20031214 | 0.79 | CA3 (0.48) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3271339-B1 | AMINO ACID ACYLATION REAGENTS AND METHODS OF USING THE SAME | REGENERON PHARMA (US) | 2021-11-24 | — | — | EP | disclosed |
| EP-2928902-B1 | CONJUGATE COMPOUNDS | VICTORIA LINK LTD (NZ) | 2019-07-17 | — | — | EP | disclosed |
| US-20170190729-A1 | POLYENE MACROLIDE DERIVATIVE | SHIONOGI & CO., LTD. (JP) | 2017-07-06 | — | — | US | disclosed |
| US-6916854-B2 | Heat and/or light curable films or coatings comprising polyurethanes or polyureaurethane copolymers having storage stability, used as automobile paints | BASF AKTIENGESELLSCHAFT (DE) | 2005-07-12 | — | — | US | disclosed |
| US-20040097642-A1 | Unsaturated compounds containing carbamate terminal groups or urea terminal groups | BASF AKTIENGESELLSCHAFT (DE) | 2004-05-20 | — | — | US | disclosed |