⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4450331 | 0.96 | — | — | |
| SCHEMBL30805665 | 0.92 | — | — | |
| Benzene SCHEMBL27705500 | 0.86 | LMNA (0.34) | — | |
| Piperazine SCHEMBL27783213 | 0.78 | HIF1A (0.33) | — | |
| Nitrous Acid SCHEMBL27459260 | 0.78 | — | — | |
| SCHEMBL17038910 | 0.76 | — | — | |
| Butane SCHEMBL4450147 | 0.75 | — | — | |
| SCHEMBL2230909 | 0.74 | — | — | |
| Bromide SCHEMBL30492674 | 0.72 | — | — | |
| SCHEMBL29575 | 0.72 | — | — |
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-7612148-B2 | Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer | TSRC CORPORATION (TW) | 2009-11-03 | — | — | US | disclosed |
| US-20080146733-A1 | Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer | TSRC CORPORATION (TW) | 2008-06-19 | — | — | US | disclosed |