⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10406958 | 0.97 | — | — | |
| SCHEMBL1776310 | 0.79 | — | — | |
| SCHEMBL1169856 | 0.79 | TSHR (0.30) | — | |
| SCHEMBL1338339 | 0.79 | TSHR (0.35) | — | |
| SCHEMBL17675050 | 0.77 | — | — | |
| SCHEMBL1170088 | 0.75 | TSHR (0.33) | — | |
| SCHEMBL21385071 | 0.75 | TSHR (0.32) | — | |
| SCHEMBL7191942 | 0.75 | — | — | |
| SCHEMBL3145995 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL1777756 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6380456-B1 | URINE ABSORPTION | THE PROCTOR & GAMBLE COMPANY | 2002-04-30 | — | — | US | claimed |
| US-5326467-A | Recovering polychlorinated biphenyls from solution | TEXACO INC. (US) | 1994-07-05 | — | — | US | claimed |
| US-5326467-A | Recovering polychlorinated biphenyls from solution | TEXACO INC. (US) | 1994-07-05 | — | — | US | disclosed |