⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7366522 | 0.80 | KMT2A (0.39) | — | |
| SCHEMBL2975052 | 0.80 | — | — | |
| SCHEMBL12284683 | 0.77 | KDM4E (0.32) | — | |
| SCHEMBL27632269 | 0.75 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL9409680 | 0.71 | — | — | |
| SCHEMBL2555704 | 0.69 | — | — | |
| SCHEMBL16040115 | 0.68 | KDM4E (0.33) | — | |
| SCHEMBL8531641 | 0.67 | — | — | |
| SCHEMBL7358131 | 0.67 | ALDH1A1 (0.46) | — | |
| SCHEMBL9409675 | 0.65 | LMNA (0.45) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0726898-B1 | PHENYLINDOLE COMPOUNDS | LUNDBECK & CO AS H (DK) | 2000-12-20 | — | — | EP | disclosed |
| US-5703087-A | PSYCHOLOGICAL DISORDERS | H. LUNDBECK A/S (DK) | 1997-12-30 | — | — | US | disclosed |
| EP-0726898-A1 | PHENYLINDOLE COMPOUNDS | H. LUNDBECK A/S (DK) | 1996-08-21 | — | — | EP | disclosed |
| WO-1995012591-A1 | PHENYLINDOLE COMPOUNDS | H. LUNDBECK A/S (DK) | 1995-05-11 | — | — | WO | disclosed |