⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19862506 | 0.86 | TSHR (0.30) | — | |
| SCHEMBL15894731 | 0.84 | — | — | |
| SCHEMBL11920351 | 0.83 | MTNR1A (0.36) | — | |
| SCHEMBL21163118 | 0.80 | MTNR1A (0.34) | — | |
| SCHEMBL22417567 | 0.80 | CYP3A4 (0.38) | — | |
| SCHEMBL21905015 | 0.80 | CYP3A4 (0.38) | — | |
| SCHEMBL22475346 | 0.79 | NPC1 (0.33) | — | |
| SCHEMBL22417568 | 0.79 | MTNR1A (0.32) | — | |
| SCHEMBL11920353 | 0.78 | AR (0.41) | — | |
| SCHEMBL17051368 | 0.77 | TSHR (0.38) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9414996-B2 | Dental compositions comprising addition-fragmentation agents | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2016-08-16 | — | — | US | disclosed |
| US-9410030-B2 | Addition-fragmentation agents | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2016-08-09 | — | — | US | disclosed |
| US-20150284538-A1 | ADDITION-FRAGMENTATION AGENTS | SOLVENTUM INTELLECTUAL PROPERTIES COMPANY | 2015-10-08 | — | — | US | disclosed |
| US-20150283039-A1 | DENTAL COMPOSITIONS COMPRISING ADDITION-FRAGMENTATION AGENTS | SOLVENTUM INTELLECTUAL PROPERTIES COMPANY | 2015-10-08 | — | — | US | disclosed |