⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10785371 | 1.00 | — | — | |
| SCHEMBL21567293 | 0.74 | — | — | |
| SCHEMBL12329318 | 0.74 | — | — | |
| Trimethylammonium SCHEMBL27701357 | 0.72 | TSHR (0.32) | — | |
| SCHEMBL10403340 | 0.72 | — | — | |
| SCHEMBL27264569 | 0.72 | — | — | |
| SCHEMBL24642606 | 0.69 | ALDH1A1 (0.42) | — | |
| SCHEMBL13801404 | 0.69 | ALDH1A1 (0.42) | — | |
| SCHEMBL8903750 | 0.69 | — | — | |
| SCHEMBL60216 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1021910-C | LANKACIDIN DERIVATIVES AND PRODUCTION THEREOF | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1993-08-25 | — | — | CN | disclosed |
| US-4914206-A | ANTIBIOTICS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1990-04-03 | — | — | US | disclosed |
| EP-0226896-A2 | Lankacidin derivatives and production thereof | Takeda Chemical Industries, Ltd. (JP) | 1987-07-01 | — | — | EP | disclosed |