⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8370195 | 0.81 | HSP90AA1 (0.30) | — | |
| SCHEMBL2094870 | 0.80 | HSP90AA1 (0.32) | — | |
| SCHEMBL1801733 | 0.78 | HSP90AA1 (0.46) | — | |
| SCHEMBL7171797 | 0.77 | — | — | |
| SCHEMBL5164132 | 0.74 | HPGD (0.38) | — | |
| SCHEMBL11110756 | 0.74 | RAB9A (0.38) | — | |
| SCHEMBL9725139 | 0.74 | PKM (0.38) | — | |
| SCHEMBL10886727 | 0.74 | VCP (0.38) | — | |
| SCHEMBL2701308 | 0.74 | VCAM1 (0.36) | — | |
| SCHEMBL11807340 | 0.73 | — | — |
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-6420511-B1 | SEPARATION AND PURIFICATION OF POLYESTERS | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2002-07-16 | — | — | US | disclosed |