⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9762016 | 0.99 | — | — | |
| SCHEMBL10922792 | 0.81 | — | — | |
| SCHEMBL9686512 | 0.81 | SLC6A9 (0.68) | — | |
| SCHEMBL9685805 | 0.80 | SLC6A9 (0.61) | — | |
| SCHEMBL9686403 | 0.79 | SLC6A9 (0.60) | — | |
| SCHEMBL9761998 | 0.78 | KDM4E (0.53) | — | |
| SCHEMBL9685783 | 0.78 | SLC6A9 (0.64) | — | |
| Emedastine SCHEMBL29770 | 0.78 | — | — | |
| Emedastine SCHEMBL29493445 | 0.78 | — | — | |
| SCHEMBL14263836 | 0.77 | SLC6A9 (0.55) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5023256-A | Antihistamines | DOMPE FARMACEUTICI S.P.A. (IT) | 1991-06-11 | — | — | US | disclosed |