⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20526056 | 0.88 | CYP2D6 (0.41) | — | |
| SCHEMBL10076591 | 0.88 | MEN1 (0.39) | — | |
| SCHEMBL8112506 | 0.86 | MEN1 (0.41) | — | |
| Bromide SCHEMBL4399728 | 0.86 | TYMP (0.38) | — | |
| SCHEMBL4522819 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL27660211 | 0.80 | — | — | |
| SCHEMBL10077180 | 0.78 | — | — | |
| SCHEMBL10077164 | 0.78 | CHRNB2 (0.37) | — | |
| SCHEMBL18233634 | 0.78 | SMN1; SMN2 (0.47) | — | |
| Bromide SCHEMBL4394932 | 0.77 | TOP2A (0.41) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6825191-B2 | ANTICOAGULANT | AJINOMOTO CO., INC. (JP) | 2004-11-30 | — | — | US | disclosed |
| US-20030186969-A1 | Benzodiazepine derivatives | AJINOMOTO CO. INC (JP) | 2003-10-02 | — | — | US | disclosed |
| EP-1329450-A1 | BENZODIAZEPINE DERIVATIVE | Ajinomoto Co., Inc. (JP) | 2003-07-23 | — | — | EP | disclosed |
| EP-0186967-A1 | Quaternized imidazoline derivatives suitable for use as fabric softeners | THOMAS SWAN AND CO., LTD. (GB) | 1986-07-09 | — | — | EP | disclosed |