⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8134246 | 1.00 | — | — | |
| SCHEMBL2405951 | 0.79 | TRPA1 (0.32) | — | |
| SCHEMBL2405953 | 0.79 | TRPA1 (0.32) | — | |
| SCHEMBL1098771 | 0.73 | MAPT (0.38) | — | |
| SCHEMBL1478315 | 0.73 | MAPT (0.38) | — | |
| SCHEMBL3225189 | 0.68 | — | — | |
| SCHEMBL379613 | 0.68 | — | — | |
| Ammonia Solution, Strong SCHEMBL27849707 | 0.68 | GAA (0.35) | — | |
| SCHEMBL7336235 | 0.67 | TRPA1 (0.35) | — | |
| SCHEMBL7336245 | 0.67 | TRPA1 (0.35) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3791875-A1 | METHOD FOR INHIBITING GROWTH OF CANCER CELLS | Pain Therapeutics, Inc. (US) | 2021-03-17 | — | — | EP | disclosed |
| EP-3054956-B1 | METHOD FOR INHIBITING GROWTH OF CANCER CELLS | PAIN THERAPEUTICS INC (US) | 2020-08-26 | — | — | EP | disclosed |
| US-10363239-B2 | Method for inhibiting growth of cancer cells | PAIN THERAPEUTICS (US) | 2019-07-30 | — | — | US | disclosed |
| US-20180311210-A1 | METHOD FOR INHIBITING GROWTH OF CANCER CELLS | PAIN THERAPEUTICS | 2018-11-01 | — | — | US | disclosed |
| US-9433604-B2 | Method for inhibiting growth of cancer cells | PAIN THERAPEUTICS INC. (US) | 2016-09-06 | — | — | US | disclosed |
| EP-3054956-A1 | METHOD FOR INHIBITING GROWTH OF CANCER CELLS | Pain Therapeutics, Inc. (US) | 2016-08-17 | — | — | EP | disclosed |
| US-20150148318-A1 | METHOD FOR INHIBITING GROWTH OF CANCER CELLS | PAIN THERAPEUTICS, INC. | 2015-05-28 | — | — | US | disclosed |
| WO-2015054027-A1 | METHOD FOR INHIBITING GROWTH OF CANCER CELLS | PAIN THERAPEUTICS, INC. (US) | 2015-04-16 | — | — | WO | disclosed |
| EP-0975624-A1 | THERMOGENIC COMPOSITION AND BENZAZEPINE THERMOGENICS | Takeda Chemical Industries, Ltd. (JP) | 2000-02-02 | — | — | EP | disclosed |
| WO-1998046590-A1 | THERMOGENIC COMPOSITION AND BENZAZEPINE THERMOGENICS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-10-22 | — | — | WO | disclosed |