⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31711779 | 0.84 | CA1 (0.36) | — | |
| SCHEMBL4601549 | 0.82 | CA1 (0.35) | — | |
| SCHEMBL5043154 | 0.82 | CA1 (0.38) | — | |
| SCHEMBL31711757 | 0.79 | CA1 (0.33) | — | |
| SCHEMBL5084618 | 0.79 | CA1 (0.36) | — | |
| SCHEMBL395705 | 0.76 | — | — | |
| SCHEMBL12693559 | 0.73 | CA1 (0.31) | — | |
| SCHEMBL31711742 | 0.73 | CA1 (0.39) | — | |
| Boric Acid SCHEMBL6516482 | 0.72 | CA1 (0.37) | — | |
| SCHEMBL31711777 | 0.72 | ESR1 (0.34) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050159299-A1 | Hydrophobization and silica for supported catalyst | EXXONMOBIL CHEMICAL PATENTS INC. | 2005-07-21 | — | — | US | claimed |