⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7211660 | 1.00 | — | — | |
| SCHEMBL3038673 | 0.78 | TSHR (0.34) | — | |
| SCHEMBL3039318 | 0.77 | — | — | |
| SCHEMBL3030398 | 0.76 | — | — | |
| SCHEMBL25811 | 0.75 | — | — | |
| SCHEMBL3042585 | 0.74 | — | — | |
| SCHEMBL8791006 | 0.74 | — | — | |
| SCHEMBL7203549 | 0.74 | — | — | |
| SCHEMBL10383715 | 0.73 | — | — | |
| SCHEMBL27664 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0518238-B1 | Pyrrolotriazole derivative | FUJI PHOTO FILM CO LTD (JP) | 1999-04-07 | — | — | EP | disclosed |
| EP-0903350-A1 | Pyrrolotriazole derivative | FUJI PHOTO FILM CO., LTD. (JP) | 1999-03-24 | — | — | EP | disclosed |
| US-5508421-A | Pyrrolotriazole azomethine dye, and heat transfer dye providing material containing a pyrrolotriazole azomethine dye | FUJI PHOTO FILM CO., LTD. (JP) | 1996-04-16 | — | — | US | disclosed |
| US-5362882-A | Intermediates for dyes for polyesters, images for heat sensitive elements and electrography | FUJI PHOTO FILM CO., LTD. (JP) | 1994-11-08 | — | — | US | disclosed |
| EP-0518238-A1 | Pyrrolotriazole derivative | FUJI PHOTO FILM CO., LTD. (JP) | 1992-12-16 | — | — | EP | disclosed |