⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6904916 | 0.76 | TSHR (0.40) | — | |
| SCHEMBL10868788 | 0.76 | TSHR (0.40) | — | |
| SCHEMBL6472048 | 0.76 | TSHR (0.40) | — | |
| SCHEMBL10870835 | 0.76 | TSHR (0.40) | — | |
| SCHEMBL10869939 | 0.76 | TSHR (0.40) | — | |
| SCHEMBL10870784 | 0.76 | TSHR (0.40) | — | |
| SCHEMBL1261809 | 0.76 | TSHR (0.40) | — | |
| SCHEMBL10870055 | 0.76 | TSHR (0.40) | — | |
| SCHEMBL10869461 | 0.76 | TSHR (0.40) | — | |
| SCHEMBL10870807 | 0.76 | TSHR (0.40) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5482965-A | PROMOTERS FOR TRANSDERMAL ADMINISTRATION OF DRUGS | RAJADHYAKSHA VITHAL J (US) | 1996-01-09 | — | — | US | claimed |
| US-5482965-A | PROMOTERS FOR TRANSDERMAL ADMINISTRATION OF DRUGS | RAJADHYAKSHA VITHAL J (US) | 1996-01-09 | — | — | US | disclosed |