⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25264479 | 0.73 | CYP2D6 (0.32) | — | |
| SCHEMBL7505375 | 0.71 | CYP2D6 (0.30) | — | |
| SCHEMBL2709936 | 0.71 | CYP2D6 (0.37) | — | |
| SCHEMBL181857 | 0.71 | CYP2D6 (0.30) | — | |
| SCHEMBL11038332 | 0.67 | — | — | |
| SCHEMBL10910424 | 0.67 | — | — | |
| SCHEMBL10908743 | 0.67 | TSHR (0.35) | — | |
| Bromide SCHEMBL6742918 | 0.67 | — | — | |
| SCHEMBL9722992 | 0.65 | — | — | |
| SCHEMBL23699792 | 0.65 | CYP2D6 (0.30) | — |
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-4482569-A | ANTITUMOR AND -CARCINOGENIC AGENTS | NEDERLANDSE CENTRALE ORGANISATIE VOOR TOEGEPASTNATUURWETEN-SCHAPPELIJK ONDERZOEK (NL) | 1984-11-13 | — | — | US | disclosed |
| US-4431666-A | Platinum(IV)-diamine complexes, a process for the preparation thereof, a process for the preparation of a medicine using such a platinum(IV)-diamine complex for the treatment of malignant tumors in mice | NEDERLANDSE CENTRALE ORGANISATIE VOOR TOEGEPAST NATUURWELENSCHAPPELYK ONDERZOEK (NL) | 1984-02-14 | — | — | US | disclosed |