⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8376223 | 0.79 | — | — | |
| SCHEMBL27005772 | 0.77 | — | — | |
| SCHEMBL24465389 | 0.77 | CHRNB2 (0.52) | — | |
| SCHEMBL24292320 | 0.75 | ALDH1A1 (0.39) | — | |
| SCHEMBL9525474 | 0.75 | HTR1A (0.36) | — | |
| SCHEMBL18469662 | 0.73 | CHRNB2 (0.35) | — | |
| SCHEMBL24292420 | 0.73 | HTR1A (0.34) | — | |
| SCHEMBL16316409 | 0.73 | HTR1A (0.44) | — | |
| SCHEMBL24292371 | 0.72 | HTR1A (0.33) | — | |
| SCHEMBL14108305 | 0.70 | HTR1A (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0226896-B1 | LANKACIDIN DERIVATIVES AND PRODUCTION THEREOF | Takeda Chemical Industries, Ltd. (JP) | 1993-09-15 | — | — | EP | disclosed |
| US-4914206-A | ANTIBIOTICS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1990-04-03 | — | — | US | disclosed |