SCHEMBL19939002

S=P12c3c4c5c6c(c3N(c3ccccc3)c3cc7ccccc7c(c31)N(c1ccccc1)c1c2c(cc2ccccc12)N4c1ccccc1)N(c1ccccc1)c1cc2ccccc2c2c1P6(=S)c1c(cc3ccccc3c1N2c1ccccc1)N5c1ccccc1

nearest known ligand 0.00

⚠ 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
SCHEMBL22195388	0.93	—	—
SCHEMBL19939050	0.88	—	—
SCHEMBL19939068	0.84	—	—
SCHEMBL19939056	0.84	—	—
SCHEMBL19939073	0.82	NPEPPS (0.33)	—
SCHEMBL19938500	0.82	MCL1 (0.32)	—
SCHEMBL19938433	0.82	EDNRB (0.33)	—
SCHEMBL19938439	0.80	MAPT (0.33)	—
SCHEMBL19939033	0.79	—	—
SCHEMBL19939097	0.78	ALDH1A1 (0.31)	—

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 6 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-11653565-B2	Polycyclic aromatic compound	KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP)	2023-05-16	—	—	US	disclosed
US-11653565-B2	Polycyclic aromatic compound	KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP)	2023-05-16	—	—	US	disclosed
US-20200220083-A1	POLYCYCLIC AROMATIC COMPOUND	KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP)	2020-07-09	—	—	US	disclosed
US-10686141-B2	Polycyclic aromatic compound	KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP)	2020-06-16	—	—	US	disclosed
US-20180069182-A1	POLYCYCLIC AROMATIC COMPOUND	KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP)	2018-03-08	—	—	US	disclosed
US-20180069182-A1	POLYCYCLIC AROMATIC COMPOUND	KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP)	2018-03-08	—	—	US	disclosed