Known targets — ChEMBL curated mechanism
823298382338688239847Rdl1Rdl2Rdl3
The experimentally established mechanism targets of Lindane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27482645 | 0.86 | CA2 (0.38) | — | |
| SCHEMBL27411569 | 0.86 | CA2 (0.38) | — | |
| SCHEMBL3728689 | 0.86 | CA2 (0.38) | — | |
| SCHEMBL5644508 | 0.86 | CA2 (0.38) | — | |
| Lindane SCHEMBL1016220 | 0.83 | LMNA (0.39) | — | |
| Lindane SCHEMBL2579810 | 0.80 | LMNA (0.36) | — | |
| Lindane SCHEMBL4354321 | 0.80 | LMNA (0.36) | — | |
| Lindane SCHEMBL333037 | 0.80 | LMNA (0.36) | — | |
| Lindane SCHEMBL8986169 | 0.76 | LMNA (0.46) | — | |
| Phosphoric Acid SCHEMBL28937321 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20090203699-A1 | AMINOMETHYLPYRIDINE DERIVATIVES, METHOD FOR PREPARING SAME AND THERAPEUTIC USE THEREOF | SANOFI-AVENTIS | 2009-08-13 | — | — | US | disclosed |
| WO-1997014443-A1 | MAGNETICALLY LABELED CHEMOATTRACTANTS AS TARGETED CONTRAST AGENTS IN THE NMR IMAGING OF LIVING TISSUES | BRACCO INTERNATIONAL B.V. (NL) | 1997-04-24 | — | — | WO | disclosed |