⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL421992 | 0.85 | TSHR (0.35) | — | |
| SCHEMBL2231703 | 0.83 | TSHR (0.33) | — | |
| SCHEMBL4731263 | 0.83 | TSHR (0.33) | — | |
| Glycerin SCHEMBL3242944 | 0.74 | LMNA (0.38) | — | |
| SCHEMBL933651 | 0.74 | — | — | |
| SCHEMBL9290679 | 0.73 | — | — | |
| SCHEMBL1155808 | 0.73 | — | — | |
| SCHEMBL6384916 | 0.71 | CA2 (0.30) | — | |
| SCHEMBL11033174 | 0.71 | THRB (0.35) | — | |
| Hydrochloric Acid SCHEMBL5066545 | 0.71 | — | — |
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-4307185-A | SENSITIZING DYE OF CYANINE STRUCTURE | FUJI PHOTO FILM CO., LTD. (JP) | 1981-12-22 | — | — | US | disclosed |
| US-4040840-A | MEROCYANINE DYE HAVING ISOXAZOLE NUCLEUS AND PYRAZOLINE-5-ONE NUCLEUSN | FUJI PHOTO FILM CO., LTD. (JA) | 1977-08-09 | — | — | US | disclosed |
| US-4028112-A | MEROCYANINE DYE WITH OXAZOLE NUCLEUS | FUJI PHOTO FILM CO., LTD. (JA) | 1977-06-07 | — | — | US | disclosed |