⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8955093 | 0.94 | — | — | |
| SCHEMBL8955098 | 0.92 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL8955268 | 0.92 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL8955616 | 0.92 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL8955144 | 0.88 | — | — | |
| SCHEMBL8955208 | 0.72 | — | — | |
| SCHEMBL106651 | 0.71 | — | — | |
| SCHEMBL106372 | 0.71 | CYP2C9 (0.32) | — | |
| SCHEMBL9622425 | 0.70 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL9622626 | 0.70 | SMN1; SMN2 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5484685-A | Naphthalocyanine derivatives, production thereof, optical recording medium using the same, and production thereof | HITACHI, LTD. (JP) | 1996-01-16 | — | — | US | disclosed |
| EP-0366440-B1 | Naphthalocyanine derivatives, production thereof, optical recording medium using the same, and production thereof | HITACHI CHEMICAL CO LTD (JP) | 1994-06-08 | — | — | EP | disclosed |
| EP-0366440-A2 | Naphthalocyanine derivatives, production thereof, optical recording medium using the same, and production thereof | Hitachi Chemical Co., Ltd. (JP) | 1990-05-02 | — | — | EP | disclosed |