⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5197880 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL5218249 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL5224066 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL5225697 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL4799383 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL5215835 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL4802401 | 0.65 | — | — | |
| SCHEMBL5198766 | 0.63 | — | — | |
| SCHEMBL5318571 | 0.63 | NPC1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL5228882 | 0.62 | NPC1 (0.31) | — |
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 | disclosed |
| EP-1548006-A1 | Synthesis of tetraazapentamethine derivatives, keratin fibers dyeing process which uses such synthesis | L'OREAL (FR) | 2005-06-29 | — | — | EP | disclosed |