⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9055278 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL9056700 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL8325712 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL9056699 | 0.98 | — | — | |
| SCHEMBL9056665 | 0.84 | — | — | |
| SCHEMBL8469381 | 0.78 | SRD5A1 (0.30) | — | |
| SCHEMBL9057639 | 0.70 | ALDH1A1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL8323042 | 0.69 | ALDH1A1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL8464473 | 0.69 | ALDH1A1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL8323044 | 0.69 | ALDH1A1 (0.33) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1996014844-A1 | CYCLIC AMIDINE ANALOGS AS INHIBITORS OF NITRIC OXIDE SYNTHASE | MERCK & CO., INC. (US) | 1996-05-23 | — | — | WO | claimed |