⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16639401 | 0.81 | — | — | |
| SCHEMBL16657273 | 0.77 | LMNA (0.39) | — | |
| SCHEMBL21566588 | 0.74 | TRPA1 (0.30) | — | |
| SCHEMBL20614522 | 0.74 | — | — | |
| SCHEMBL11841010 | 0.73 | — | — | |
| SCHEMBL11411161 | 0.73 | — | — | |
| SCHEMBL21106759 | 0.73 | — | — | |
| SCHEMBL17379567 | 0.73 | — | — | |
| SCHEMBL17379431 | 0.73 | — | — | |
| SCHEMBL17379160 | 0.73 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4089404-A | — | — | None | — | — | JP | disclosed |
| US-20180186954-A1 | GRAPHENE OXIDE BARRIER FILM | NITTO DENKO CORPORATION (JP) | 2018-07-05 | — | — | US | disclosed |
| JP-H0489404-A | AGENT AND METHOD FOR CONTROLLING INJURIOUS INSECT IN SEWAGE TANK | FUMAKILLA LTD | 1992-03-23 | — | — | JP | disclosed |