⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5854007 | 0.88 | — | — | |
| Biphenyl SCHEMBL7652527 | 0.88 | — | — | |
| Biphenyl SCHEMBL7656350 | 0.76 | SOAT1 (0.34) | — | |
| Biphenyl SCHEMBL7653682 | 0.76 | SOAT1 (0.34) | — | |
| Biphenyl SCHEMBL7648978 | 0.75 | MEN1 (0.34) | — | |
| Biphenyl SCHEMBL7649693 | 0.73 | MEN1 (0.35) | — | |
| Biphenyl SCHEMBL7655469 | 0.73 | ALDH1A1 (0.37) | — | |
| Biphenyl SCHEMBL7648028 | 0.72 | ALDH1A1 (0.36) | — | |
| Biphenyl SCHEMBL7651913 | 0.72 | ALDH1A1 (0.36) | — | |
| Biphenyl SCHEMBL7652247 | 0.72 | ALDH1A1 (0.36) | — |
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-6423795-B1 | USING COORDINATION CATALYST | EXXONMOBIL CHEMICAL PATENTS INC. | 2002-07-23 | — | — | US | disclosed |
| US-RE37788-E1 | Monocyclopentadienyl metal compounds for ethylene-α-olefin-copolymer production catalysts | EXXON CHEMICAL PATENTS, INC. | 2002-07-09 | — | — | US | disclosed |
| US-5621126-A | METAL COMPLEX WITH CYCLOPENTADIENE CONTAINS AN AMIDO GROUP HAVING ALIPHATIC OR ALICYCLIC HYDROCARBYL GROUP COVALENTLY BONDED THERETO THROUGH A PRIMARY OR SECONDARY CARBON ATOM; USED AS POLYMERIZATION CATALYST | EXXON CHEMICAL PATENTS INC. (US) | 1997-04-15 | — | — | US | disclosed |