⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8372368 | 0.75 | DAO (0.35) | — | |
| SCHEMBL6285473 | 0.73 | — | — | |
| SCHEMBL27590966 | 0.71 | — | — | |
| SCHEMBL13652335 | 0.67 | — | — | |
| SCHEMBL1145884 | 0.64 | — | — | |
| SCHEMBL27439304 | 0.62 | MAPT (0.38) | — | |
| SCHEMBL1027102 | 0.61 | — | — | |
| SCHEMBL4652308 | 0.61 | — | — | |
| SCHEMBL1145234 | 0.60 | — | — | |
| SCHEMBL5552264 | 0.59 | — | — |
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-8173628-B2 | Therapy for hormone sensitive diseases; side effect reduction; anticancer agents; osteoporosis; endometriosis; benign prostatic hyperplasia; cardiovascular disorders; acne | NORTHEASTERN UNIVERSITY (US) | 2012-05-08 | — | — | US | disclosed |
| US-20080166301-A1 | Steroidal antiestrogens and antiandrogens and uses thereof | NORTHEASTERN UNIVERSITY | 2008-07-10 | — | — | US | disclosed |