⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29541273 | 0.97 | — | — | |
| SCHEMBL7807 | 0.97 | — | — | |
| SCHEMBL8646436 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL442526 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL9339246 | 0.94 | — | — | |
| SCHEMBL8646430 | 0.94 | — | — | |
| SCHEMBL15900790 | 0.94 | — | — | |
| SCHEMBL5685497 | 0.94 | CYP3A4 (0.53) | — | |
| SCHEMBL5688526 | 0.94 | — | — | |
| SCHEMBL28825206 | 0.94 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5026473-A | Hydrotreatment of petroleum feedstocks | EXXON RESEARCH & ENGINEERING COMPANY (US) | 1991-06-25 | — | — | US | claimed |
| EP-0408321-A1 | Transition metal tris-dithiolene and related complexes as precursors to active catalysts | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 1991-01-16 | — | — | EP | claimed |
| US-4962077-A | PREPARED BY HEATING IN A REDUCING ATMOSPHERE; SUITABLE FOR HYDRODESULFURIZATION, HYDRODENITROGENIZATION AND HYDROGENATION | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 1990-10-09 | — | — | US | claimed |