⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3413093 | 0.86 | TSHR (0.35) | — | |
| SCHEMBL24308962 | 0.84 | TSHR (0.36) | — | |
| SCHEMBL23572529 | 0.84 | TSHR (0.36) | — | |
| SCHEMBL7171314 | 0.82 | NPC1 (0.32) | — | |
| SCHEMBL3530585 | 0.80 | MEN1 (0.34) | — | |
| SCHEMBL22518978 | 0.80 | TSHR (0.33) | — | |
| SCHEMBL4818284 | 0.78 | MEN1 (0.36) | — | |
| SCHEMBL1761080 | 0.77 | MGAT2 (0.30) | — | |
| SCHEMBL4594407 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL7682298 | 0.76 | GNAI3 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6339090-B1 | FOR THERAPY OF BENIGN PROSTATIC HYPERPLASIA | MERCK & CO., INC. | 2002-01-15 | — | — | US | disclosed |
| US-4086234-A | Process for the preparation of tertiary amines | G. D. SEARLE & CO. (US) | 1978-04-25 | — | — | US | disclosed |