⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3907947 | 0.70 | TSHR (0.33) | — | |
| SCHEMBL4377289 | 0.58 | CHRM2 (0.31) | — | |
| SCHEMBL4607337 | 0.57 | TSHR (0.33) | — | |
| SCHEMBL29182417 | 0.56 | KMT2A (0.33) | — | |
| SCHEMBL28323842 | 0.56 | SLC18A3 (0.40) | — | |
| SCHEMBL15517260 | 0.56 | CHRM2 (0.31) | — | |
| SCHEMBL14354717 | 0.54 | CHRM2 (0.42) | — | |
| SCHEMBL27656244 | 0.54 | — | — | |
| SCHEMBL13791007 | 0.54 | KDM4E (0.40) | — | |
| SCHEMBL301572 | 0.54 | KDM4E (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8211984-B2 | Ring-opening metathesis polymer, hydrogenated product thereof, method for preparing the same, and use thereof | MITSUI CHEMICALS, INC. (JP) | 2012-07-03 | — | — | US | disclosed |
| US-20090215974-A1 | RING-OPENING METATHESIS POLYMER, HYDROGENATED PRODUCT THEREOF, METHOD FOR PREPARING THE SAME, AND USE THEREOF | MITSUI CHEMICALS INC (JP) | 2009-08-27 | — | — | US | disclosed |