⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7534076 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL6362835 | 0.96 | — | — | |
| SCHEMBL8853490 | 0.79 | — | — | |
| SCHEMBL7108713 | 0.79 | — | — | |
| SCHEMBL8853610 | 0.79 | — | — | |
| SCHEMBL8853606 | 0.79 | — | — | |
| SCHEMBL819941 | 0.79 | — | — | |
| SCHEMBL7719570 | 0.78 | MYC (0.34) | — | |
| SCHEMBL10495969 | 0.76 | MAOA (0.39) | — | |
| SCHEMBL9843187 | 0.76 | — | — |
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-5604170-A | EFFECTIVE CATALYST SUPPORT SATISFYING CERTAIN REQUISITES: PARTICLE DIAMETER, SPECIFIC SURFACE AREA, PORE VOLUME, SPECIFIC GRAVITY; SUBJECTED TO ULTRASONIC DISINTEGRATION | NIPPON OIL COMPANY, LIMITED (JP) | 1997-02-18 | — | — | US | disclosed |