⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5336664 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL4803524 | 0.61 | — | — | |
| Hydrochloric Acid SCHEMBL4800320 | 0.59 | — | — | |
| SCHEMBL31481261 | 0.56 | BCL2 (0.34) | — | |
| SCHEMBL12227820 | 0.54 | NPC1 (0.46) | — | |
| SCHEMBL11908469 | 0.52 | ALDH1A1 (0.46) | — | |
| SCHEMBL524907 | 0.51 | EGLN3 (0.54) | — | |
| Octenidine SCHEMBL13834162 | 0.50 | GPR84 (0.46) | — | |
| Octenidine SCHEMBL20765563 | 0.50 | GPR84 (0.46) | — | |
| SCHEMBL15330301 | 0.50 | EGLN3 (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-1548006-B1 | Synthesis of tetraazapentamethine derivatives, keratin fibers dyeing process which uses such synthesis | OREAL (FR) | 2007-09-05 | — | — | EP | claimed |
| EP-1548006-A1 | Synthesis of tetraazapentamethine derivatives, keratin fibers dyeing process which uses such synthesis | L'OREAL (FR) | 2005-06-29 | — | — | EP | claimed |